PeopleMembers

Postdoctoral Researcher Yaokun Lei

EDUCATION

2020 Ph. D. (Theoretic and Computational Chemistry) Peking University, China
2018 M. Sc. (Theoretic and Computational Chemistry) Peking University, China
2015 B. Sc. (Chemistry) LanZhouJiaoTong University, China

RESEARCH EXPERIENCES

2021.7 – present Postdoctoral Researcher, RIKEN CPR Theoretical Molecular Science Laboratory, Japan
2020.7 – 2021.6 Visiting Scholar, ShenZhen Bay Laboratory, China

AWARDS AND FELLOWSHIPS/SCHOLARSHIPS

2019 The PKU PIONEER Scholarship in Physical Chemistry, China.

PROFESSIONAL AFFILIATIONS

None

RESEARCH PROJECTS

  1. Muti-scale Simulation

PUBLICATIONS

Peer review articles

  1. Deep Reinforcement Learning of Transition States.
    Zhang, J. *, Lei, Y. K.* , Zhang, Z., Han, X., Li, M. D., Yang, L. J., Yang, I. Y. & Gao, Y. Q.
    Phys. Chem. Chem. Phys., 23,6888-6895 (2021)
  2. Deep learning for variational multiscale molecular modeling.
    Zhang, J., Lei, Y. K., Yang.Y. I. & Gao, Y. Q.
    J. Chem. Phys., 153,174115 (2020)
  3. Deep Representation Learning for Complex Free Energy Landscapes.
    Zhang, J., Lei, Y. K. K., X., Zhang, Z., Yang, I. Y. & Gao, Y. Q.
    J. Phys. Chem. Lett., 10(18),5571-5576 (2019)
  4. Dynamic Electric Field Complicates Chemical Reactions in Solutions.
    Lei Y. K.*, Zhang, J.*, Zhang, Z., Gao, Y. Q.
    J. Phys. Chem. Lett., 10(11),2991-2997 (2019)

Review article

  1. A Perspective on Deep Learning for Molecular Modeling and Simulations.
    Zhang, J., Lei, Y. K., Zhang, Z., Chang, J. H., Han, X., Yang, L. J., Yang, I. Y. & Gao, Y. Q.
    J. Phys. Chem. A, 124(34), 6745-6763 (2020).
  2. The importance of dynamic effects in chemical reactions in condensed phase.
    Lei Y. K., Zhang, J., Zhang, Z., Gao, Y. Q.
    SCIENTIA SINICA Chimica, 50(10),1407-1421 (2020)