Jingbai Li

Curriculum Vitae

Associate professor of HIAM in Shenzhen Polytechnic. He received his B.S. degree from Zhengzhou University and Ph.D. degree from Department of Chemistry at Illinois Institute of Technology in 2019. In 2019–2022, he joined Prof. Steven Lopez’s group at Northeastern University as postdoctoral research associate. His research is focused on computational design of organic energy-dense material, theoretical studies on photochemical reaction mechanisms, and development of machine-learning nonadiabatic molecular dynamics approach for complex systems. He has published more than 20 peer-review papers, including Acc. Chem. Res., J. Am. Chem. Soc., and Chem. Sci.

Selected Publications

1. J. Li, S. A. Lopez, “A look inside the black box of machine learning photodynamics simulations”, Acc. Chem. Res., 2022, Accepted.

2. J. Li, S. A. Lopez, “Excited-state distortions promote the reactivities and regioselectivities of photochemical 4π-electrocyclizations of fluorobenzenes”, Chem. A Eur J. 2022, e202200651.

3. J. Li, R. Stein, D. M. Adrion, S. A. Lopez, “Machine-learning photodynamics simulations uncover the role of substituent effects on the photochemical formation of cubanes”, J. Am. Chem. Soc. 2021, 143, 20166–20175 (Selected as Cover Page).

4. J. Li, P. Reiser, B. R. Boswell, A. Eberhard, N. Z. Burns, P. Frederich, S. A. Lopez, “Automatic Discovery of Photoisomerization Mechanisms with Nanosecond Machine Learning Photodynamics Simulations”, Chem. Sci., 2021, 12, 5302–5314.