Li, Chen (李晨)
Present Position:
College of Chemistry and Molecular Engineering, Peking University,
Beijing, China, 100871
Phone: +86 13021191150
Email: chenlichem@pku.edu.cn
Website: https://www.chem.pku.edu.cn/chenli/
Research Interest
Theoretical Chemistry, Computational Chemistry, Density Functional Theory
Personal
Born on Aug 29, 1989 in Changchun, China
Gender: Male
Marital Status: single
Hobbies: soccer, go game, tennis, table tennis, pull game, badminton, chess.
Education
September 2007 - July 2011
BS major degree in Chemistry, minor degree in Math, Peking University, Beijing, China
August 2011 – December 2016
PhD in Theoretical Chemistry supervised by Prof. Weitao Yang, Duke University, Durham, NC, USA
Work Experience
December 2016 – March 2017
Postdoc with Prof. Weitao Yang at Duke University, Durham, NC, USA
April 2017 – Aug 2019
Postdoc with Prof. Eberhard, K. U. Gross at Max Planck Institute of Microstructure Physics, Halle, Germany
Oct 2019 – Aug 2020
Postdoc with Prof. Eberhard, K. U. Gross at Hebrew University of Jerusalem, Jerusalem, Israel
Sep 2020 – present
Assistant Professor at College of Chemistry and Molecular Engineering, Peking University, China
Presentations
1. Contributed talk, “Local Scaling Correction for Reducing Delocalization Error in Approximate Density Functionals”, Chen Li, Xiao Zheng, Aron J. Cohen, Paula Mori−Sánchez, Weitao Yang, American Physics Society (APS) March Meeting, Denver, Colorado, USA, March 3rd, 2014.
2. Contributed talk, “Local Scaling Correction for Reducing Delocalization Error in Approximate Density Functionals”, Chen Li, 16th International Conference on Density Functional Theory and Its Applications, Debrecen, Hungary, Sep. 3rd, 2015
3. Contributed talk, “Gentlest Ascent Dynamics for Calculating First Excited State and Exploring Energy Landscape of Kohn-Sham Density Functionals”, Chen Li, Jianfeng Lu, Weitao Yang, American Physics Society (APS) March Meeting, Baltimore, Maryland, USA, March 15th, 2016.
4. Contributed talk, “Gentlest Ascent Dynamics for Calculating First Excited State and Exploring Energy Landscape of Kohn-Sham Density Functionals”, Chen Li, IPAM summer school, Los Angeles, California, USA, Aug. 22-27th, 2016.
5. Contributed talk, “Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF”, Chen Li, Ryan Requist, E. K. U. Gross, Deutsche Physikalische Gesellschaft (DPG) March Meeting, Berlin, Germany, March 14th, 2018.
6. Invited talk, “Beyond Born-Oppenheimer time dependent density functional theory for molecular dynamics simulations”, Chen Li, Beijing Computational Science Research Center, Beijing, China, Jan. 25th, 2019.
7. Poster presentation, “Beyond Born-Oppenheimer time dependent density functional theory for molecular dynamics simulations”, Chen Li, Ryan Requist, E. K. U. Gross, CECAM Workshop, Lausanne, Switzerland, Mar. 18-22, 2019.
8. Invited talk, “Exact factorization based density functional theory for electron-nuclear systems”, Chen Li, Workshop on “The exact factorization for electrons, nuclei and photons”, Jerusalem, May 22, 2019.
9. Invited talk, “Exact factorization based time dependent density functional theory”, Chen Li, Workshop on “The exact factorization for electrons, nuclei and photons”, Jerusalem, May 23, 2019.
10. Invited talk, “Energy, momentum and angular momentum transfer between electrons and nuclei”, Chen Li, Workshop on “The exact factorization for electrons, nuclei and photons”, Jerusalem, May 24, 2019.
11. Invited talk, “From self-interaction correction to delocalization-error correction”, Chen Li, Chemical Physics Junior Forum: 2020 Theoretical and Computational Chemistry Conference, Institute of Chemistry, Chinese Academy of Sciences, Beijing, Oct. 24-25, 2020.
12. Invited talk, “From self-interaction correction to delocalization-error correction”, Chen Li, joint theoretical chemistry lecture series between Peking University and University of Chicago, online, Nov. 10, 2020.
13. Invited talk, “Energy, Momentum and Angular Momentum Transfer Between Electrons and Nuclei”, Chen Li, Institute of Theoretical Chemistry, Jilin University, online, Jan 29, 2021.
14. Contributed talk, “From self-interaction correction to delocalization-error correction”, Chen Li, 14th National Quantum Chemistry Conference of Chinese Chemical Society, Shanghai, Oct. 11, 2021.
15. Invited talk, “Recent Progress in Density Functional Theory and Wave Function Theory”, Chen Li, Synfuels China, Beijing, Aug. 18, 2022.
16. Invited talk, “Energy, momentum and angular momentum transfer between electrons and nuclei”, the International Conference on Nonequilibrium and Ultrafast Quantum States, Beijing, Nov. 15, 2022.
17. Invited talk, “Recent Progress in Density Functional Theory and Wave Function Theory”, Chen Li, Beijing Normal University, online, Beijing, Dec. 1st, 2022.
18. Invited talk, “Analytical solution of single-electron stationary states of Schroedinger equations”, Paratera online lecture, Mar. 9, 2023.
Publications
1. C. Li, X. Zheng*, A. J. Cohen, P. Mori−Sánchez, W. Yang*, Local Scaling Correction for Reducing Delocalization Error in Density Functional Approximations, Phys. Rev. Lett. 114, 053001, 2015.
2. C. Li, J. Lu, W. Yang*, Gentlest Ascent Dynamics for Calculating First Excited State and Exploring Energy Landscape of Kohn-Sham Density Functionals, J. Chem. Phys. 143(22), 224110, 2015.
3. D. Zhang, X. Zheng, C. Li, W. Yang*, Orbital relaxation effects on Kohn–Sham frontier orbital energies in density functional theory, J. Chem. Phys. 142(15), 154113, 2015.
4. X. Zheng, C. Li, D. Zhang, W. Yang*, Scaling correction approaches for reducing delocalization error in density functional approximations, Science China Chemistry, 58, 1825, 2015.
5. C. Li, W. Yang*, On the piecewise convex or concave nature of ground state energy as a function of fractional number of electrons for approximate density functionals, J. Chem. Phys. 146 (7), 074107, 2017.
6. C. Li, J. Lu, W. Yang*, On extending Kohn-Sham density functionals to systems with fractional number of electrons, J. Chem. Phys. 146 (21), 214109, 2017.
7. C. Li, X. Zheng, N. Su, W. Yang*, Localized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations, National Science Review, 5, 203, 2018.
8. C. Li*, R. Requist, E. K. U. Gross, Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF, J. Chem. Phys. 148, 084110, 2018.
9. N. Su, C. Li, W. Yang*, Describing strong correlation with fractional-spin correction in density functional theory, Proc. Natl. Acad. Sci. 115, 9678, 2018.
10. Y. Mei, C. Li, N. Su, W. Yang*, Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham Calculations, J. Phys. Chem. A. 123, 666, 2018.
Publications at PKU
11. C. Li*, Exact Analytical Solution of the Ground-State Hydrogenic Problem with Soft Coulomb Potential, J. Phys. Chem. A. 125, 5146, 2021.
12. C. Li*, Exact Analytical Ground State Solution of 1D H2+ with Soft Coulomb Potential, J. Math. Chem. 60, 184–194, 2022.
13. R. Requist*, C. Li, E. K. U. Gross, Geometric energy transfer in two-component systems, Phil. Trans. R. Soc. A. 380, 20200383, 2022.
14. C. Li*, R. Requist, E. K. U. Gross, Energy, momentum and angular momentum transfer between electrons and nuclei, Phys. Rev. Lett. 128, 113001, 2022.
15. Y. Li, C. Li*, Exact Analytical Form of Diatomic Molecular Orbitals, ACS Omega, 7(26), 22594, 2022.
16. X. Huang, X. Li, Y. Tao, S. Guo, J. Gu, H. Hong, Y. Yao, Y. Guan, Y. Gao, C. Li, X. Lü, Y. Fu*, Understanding Electron–Phonon Interactions in 3D Lead Halide Perovskites from the Stereochemical Expression of 6s2 Lone Pairs, J. Am. Chem. Soc. 144(27), 12247, 2022.
17. Y. Tao, Y. Li, C. Li*, Is there a better way of representing stationary wave functions than basis expansion? Int. J. Quantum Chem. 123(9), e27083, 2023.
Awards
1. Paul M. Gross Fellowship, Duke University (2015)
2. William Krigbaum Fellowship, Duke University (2015)
3. 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, prize for the best teaching performance and excellent teaching plan (2021)