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
- Muti-scale Simulation
PUBLICATIONS
Peer review articles
- 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) - Deep learning for variational multiscale molecular modeling.
Zhang, J., Lei, Y. K., Yang.Y. I. & Gao, Y. Q.
J. Chem. Phys., 153,174115 (2020) - 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) - 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
- 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). - 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)