Liwei CAO

PhD Student

Liwei was a PhD student in Prof. Alexei Lapkin's Sustainable Reaction Engineering group. During her PhD, she worked on combining artificial intelligence and an automated experimental platform in formulated product design.



Research Interest

Key Publications

Bai, Jiaru, Liwei Cao, Sebastian Mosbach, Jethro Akroyd, Alexei A. Lapkin, and Markus Kraft. 2022. “From Platform to Knowledge Graph: Evolution of Laboratory Automation.” JACS Au 2 (2): 292–309.

Amar, Yehia, Artur M. Schweidtmann, Paul Deutsch, Liwei Cao, and Alexei Lapkin. 2019. “Machine Learning and Molecular Descriptors Enable Rational Solvent Selection in Asymmetric Catalysis.” Chemical Science 10 (27): 6697–6706.

Cao, Liwei, Mikhail Kabeshov, Steven V Ley, and Alexei A Lapkin. 2020. “In Silico Rationalisation of Selectivity and Reactivity in Pd-Catalysed C–H Activation Reactions.” Beilstein Journal of Organic Chemistry 16 (June): 1465–75.

Cao, Liwei, Danilo Russo, Kobi Felton, Daniel Salley, Abhishek Sharma, Graham Keenan, Werner Mauer, Huanhuan Gao, Leroy Cronin, and Alexei A. Lapkin. 2021. “Optimization of Formulations Using Robotic Experiments Driven by Machine Learning DoE.” Cell Reports Physical Science, 100295.

Cao, Liwei, Danilo Russo, and Alexei A. Lapkin. 2021. “Automated Robotic Platforms in Design and Development of Formulations.” AIChE Journal, February.

Neumann, Pascal, Liwei Cao, Danilo Russo, Vassilios S. Vassiliadis, and Alexei A. Lapkin. 2019. “A New Formulation for Symbolic Regression to Identify Physico-Chemical Laws from Experimental Data.” Chemical Engineering Journal, 123412.

Varghese, Jithin John, Liwei Cao, Christopher Robertson, Yanhui Yang, Lynn F. Gladden, Alexei A. Lapkin, and Samir H. Mushrif. 2019. “Synergistic Contribution of the Acidic Metal Oxide–Metal Couple and Solvent Environment in the Selective Hydrogenolysis of Glycerol: A Combined Experimental and Computational Study Using ReO x –Ir as the Catalyst.” ACS Catalysis 9 (1): 485–503.

Zhang, Chonghuan, Yehia Amar, Liwei Cao, and Alexei A. Lapkin. 2020. “Solvent Selection for Mitsunobu Reaction Driven by an Active Learning Surrogate Model.” Organic Process Research & Development 24 (12): 2864–73.