Yao-Kun Lei

Deep learning for variational multiscale molecular modeling.

Jun Zhang, Yi Isaac Yang, Yao-Kun Lei, 2020, The Journal of chemical physics.

A Perspective on Deep Learning for Molecular Modeling and Simulations.

Zhen Zhang, Jun Zhang, Yi Isaac Yang, 2020, The journal of physical chemistry. A.

Deep Reinforcement Learning of Transition States pdf

Jun Zhang, Xu Han, Maodong Li, 2020, Physical chemistry chemical physics : PCCP.

Deep Representation Learning for Complex Free Energy Landscapes.

Jun Zhang, Zhen Zhang, Yi Isaac Yang, 2019, The journal of physical chemistry letters.

Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales pdf

Jun Zhang, Yi Isaac Yang, Yao-Kun Lei, 2020, ArXiv.

A Perspective on Deep Learning for Molecular Modeling and Simulations

Zhen Zhang, Xu Han, Jun Zhang, 2020, The journal of physical chemistry. B.

Deep Reinforcement Learning of Transition States

Jun Zhang, Yi Isaac Yang, Lijiang Yang, 2021, Physical chemistry chemical physics : PCCP.

Reinforcement Learning for Multi-Scale Molecular Modeling

Jun Zhang, Yi Isaac Yang, Yao-Kun Lei, 2019 .