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Yao-Kun Lei

Showing results (1-10 of 9) with videos related to

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Journal of Chemical Theory and Computation|March 11, 2025
Efficient Training of Neural Network Potentials for Chemical and Enzymatic Reactions by Continual LearningYao-Kun Lei, Kiyoshi Yagi, Yuji Sugita
The Journal of Chemical Physics|June 3, 2024
Learning QM/MM potential using equivariant multiscale modelYao-Kun Lei, Kiyoshi Yagi, Yuji Sugita
The Journal of Physical Chemistry Letters|May 17, 2019
Dynamic Electric Field Complicates Chemical Reactions in SolutionsYao Kun Lei, Jun Zhang, Zhen Zhang, et al.
The Journal of Chemical Physics|November 10, 2020
Deep learning for variational multiscale molecular modelingJun Zhang, Yao-Kun Lei, Yi Isaac Yang, et al.
Journal of Chemical Theory and Computation|September 22, 2022
Locating Transition Zone in Phase SpaceYao-Kun Lei, Zhen Zhang, Xu Han, et al.
The Journal of Physical Chemistry Letters|September 4, 2019
Deep Representation Learning for Complex Free-Energy LandscapesJun Zhang, Yao-Kun Lei, Xing Che, et al.
Physical Chemistry Chemical Physics : PCCP|March 17, 2021
Deep reinforcement learning of transition statesJun Zhang, Yao-Kun Lei, Zhen Zhang, et al.
The Journal of Physical Chemistry. A|August 14, 2020
A Perspective on Deep Learning for Molecular Modeling and SimulationsJun Zhang, Yao-Kun Lei, Zhen Zhang, et al.
The Journal of Physical Chemistry Letters|September 8, 2022
Phase Transition between Crystalline Variants of Ordinary IceMaodong Li, Jun Zhang, Haiyang Niu, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|March 11, 2025
Efficient Training of Neural Network Potentials for Chemical and Enzymatic Reactions by Continual LearningYao-Kun Lei, Kiyoshi Yagi, Yuji Sugita
The Journal of Chemical Physics|June 3, 2024
Learning QM/MM potential using equivariant multiscale modelYao-Kun Lei, Kiyoshi Yagi, Yuji Sugita
The Journal of Physical Chemistry Letters|May 17, 2019
Dynamic Electric Field Complicates Chemical Reactions in SolutionsYao Kun Lei, Jun Zhang, Zhen Zhang, et al.
The Journal of Chemical Physics|November 10, 2020
Deep learning for variational multiscale molecular modelingJun Zhang, Yao-Kun Lei, Yi Isaac Yang, et al.
Journal of Chemical Theory and Computation|September 22, 2022
Locating Transition Zone in Phase SpaceYao-Kun Lei, Zhen Zhang, Xu Han, et al.
The Journal of Physical Chemistry Letters|September 4, 2019
Deep Representation Learning for Complex Free-Energy LandscapesJun Zhang, Yao-Kun Lei, Xing Che, et al.
Physical Chemistry Chemical Physics : PCCP|March 17, 2021
Deep reinforcement learning of transition statesJun Zhang, Yao-Kun Lei, Zhen Zhang, et al.
The Journal of Physical Chemistry. A|August 14, 2020
A Perspective on Deep Learning for Molecular Modeling and SimulationsJun Zhang, Yao-Kun Lei, Zhen Zhang, et al.
The Journal of Physical Chemistry Letters|September 8, 2022
Phase Transition between Crystalline Variants of Ordinary IceMaodong Li, Jun Zhang, Haiyang Niu, et al.
Pageof 1