Biography

• Assistant Professor, College of Chemistry and Molecular Engineering, Peking University (2020.9-now)

• Postdoc with Prof. Eberhard K. U. Gross at Hebrew University of Jerusalem, Jerusalem, Israel (2019.10-2020.8)

• Postdoc with Prof. Eberhard K. U. Gross at Max Planck Institute of Microstructure Physics, Halle, Germany (2017.4-2019.8)

• Postdoc with Prof. Weitao Yang at Duke University, Durham, USA(2016.12-2017.3)

• PhD in Theoretical Chemistry supervised by Prof. Weitao Yang, Duke University, Durham, USA (2011.8-2016.12)

• BS major degree in Chemistry, minor degree in Mathematics, Peking University, Beijing, China (2007.9-2011.7)

Research Interests

• Improving density functional approximations particularly for transition metal compounds

• Developing novel approximation schemes based on the exact analytic structure of wave functions

• Developing beyond Born-Oppenheimer static and time-dependent density functional theory and approximations based on the exact factorization approach for capturing nonadiabatic effects

• Using theoretical calculations to address catalytic mechanisms in collaboration with experimental groups

Teaching

• StructuralChemistry

• Introduction to Theoretical and ComputationalChemistry

Awards

• 1st prize (ranking No. 1 among 29 competitors in the group of natural science and engineering faculties) in the 21st Peking University teaching contest for junior faculties, the best teaching performance prize and the prize for excellent teaching plan (2021)

• Aegon-Industrial Fund (兴证全球基金) outstanding junior scholar prize for teaching, Peking University (2023)

• Excellent Teaching Award, Peking University (2023)

Selected Publications

1. W. Yao, Z. Yin, C. Li*, Formally exact and practically useful analytic solution of Harmonium,ACS Omega, ASAP, 2024.

2. Y. Li,Z. Wang,C. Li*, Understanding molecular geometric phase effects with exact effective force: case study of a model system, J. Phys.: Condens. Matter,36, 465201, 2024.

3. Y. Li, C. Li*, Exact analytical form of diatomic molecular orbitals, ACS Omega, 7(26), 22594, 2022.

4. C. Li*, R. Requist, E. K. U. Gross, Energy, momentum and angular momentum transfer between electrons and nuclei, Phys. Rev. Lett. 128, 113001,2022.

5. C. Li*, Exact analytical solution of the ground-state hydrogenic problem with soft Coulomb potential,J. Phys. Chem. A. 125, 5146,2021.