Personal Profiles

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

Asst Prof Tej Salil CHOKSI

Principal Investigator

Profile

Tej S. Choksi is a tenure-track Assistant Professor at Nanyang Technological University (NTU), Singapore (since Dec. 2019). His group employs first principles methods, machine learning, and multiscale kinetic models to understand reaction mechanisms, and design heterogeneous catalysts for sustainable chemistry. He earned his bachelor’s degree from the Institute of Chemical Technology, Mumbai, India (May 2012). Thereafter, he earned his PhD at Purdue University, West Lafayette, USA (Dec. 2017) under the guidance of Prof. Jeffrey Greeley. He finished postdoctoral training at the SUNCAT Center for Interface Science and Catalysis, Stanford University, with Dr. Frank Abild-Pedersen. He is a Faculty Fellow of the NTU Honors College and the undergraduate program director of Chemical and Biomolecular Engineering at the School of Chemistry, Chemical Engineering and Biotechnology, NTU, Singapore. He holds early career leadership positions in editorial boards of academic journals like ChemSusChem, Journal of Catalysis, and Applied Catalysis A: General.

Dr Choksi is a Principal Investigator on the SM3 programme and was previously a PI on the C4T programme.

Location

Singapore - NTU

Role

Principal Investigators

Project

SM3

Asst Prof Tej Choksi's research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. They employ a combination of data-driven and physics-based techniques to:

- identify the active site and reaction mechanism
- determine the catalyst structure under reaction conditions
- establish computational workflows for screening catalysts
- design new candidate catalysts using these computational workflows

The group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Their catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.

Google Scholar link

Li, Renhong, Zhiqi Liu, Quang Thang Trinh, Ziqiang Miao, Shuang Chen, Kaicheng Qian, Roong Jien Wong, et al. 2021. ‘Strong Metal–Support Interaction for 2D Materials: Application in Noble Metal/TiB 2 Heterointerfaces and Their Enhanced Catalytic Performance for Formic Acid Dehydrogenation’. Advanced Materials 33 (32): 2101536. https://doi.org/10.1002/adma.202101536.

Li, Xiaogang, Shasha Tang, Shuo Dou, Hong Jin Fan, Tej S. Choksi, and Xin Wang. 2021. ‘Molecule Confined Isolated Metal Sites Enable the Electrocatalytic Synthesis of Hydrogen Peroxide’. Advanced Materials, September, 2104891. https://doi.org/10.1002/adma.202104891.

Tao, L., Choksi, T. S.*, Liu, W.*, Perez-Ramirez, J.* (2020). Synthesizing High-Volume Chemicals from CO2 without Direct H2 Input. ChemSusChem, 13, 6049. https://doi.org/10.1002/cssc.202002444

Jonathan L. Snider, Verena Streibel, McKenzie A. Hubert, Tej S. Choksi, Eduardo Valle, D. Chester Upham, Julia Schumann, Melis S. Duyar, Alessandro Gallo, Frank Abild-Pedersen, and Thomas F. Jaramillo, 2019, ACS Catalysis 9 (4), 3399-3412 DOI: 10.1021/acscatal.8b04848

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