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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 Learning
Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita
The Journal of Chemical Physics
|
June 3, 2024
Learning QM/MM potential using equivariant multiscale model
Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita
The Journal of Physical Chemistry Letters
|
May 17, 2019
Dynamic Electric Field Complicates Chemical Reactions in Solutions
Yao Kun Lei, Jun Zhang, Zhen Zhang, et al.
The Journal of Chemical Physics
|
November 10, 2020
Deep learning for variational multiscale molecular modeling
Jun Zhang, Yao-Kun Lei, Yi Isaac Yang, et al.
Journal of Chemical Theory and Computation
|
September 22, 2022
Locating Transition Zone in Phase Space
Yao-Kun Lei, Zhen Zhang, Xu Han, et al.
The Journal of Physical Chemistry Letters
|
September 4, 2019
Deep Representation Learning for Complex Free-Energy Landscapes
Jun Zhang, Yao-Kun Lei, Xing Che, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 17, 2021
Deep reinforcement learning of transition states
Jun 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 Simulations
Jun Zhang, Yao-Kun Lei, Zhen Zhang, et al.
The Journal of Physical Chemistry Letters
|
September 8, 2022
Phase Transition between Crystalline Variants of Ordinary Ice
Maodong Li, Jun Zhang, Haiyang Niu, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
March 11, 2025
Efficient Training of Neural Network Potentials for Chemical and Enzymatic Reactions by Continual Learning
Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita
The Journal of Chemical Physics
|
June 3, 2024
Learning QM/MM potential using equivariant multiscale model
Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita
The Journal of Physical Chemistry Letters
|
May 17, 2019
Dynamic Electric Field Complicates Chemical Reactions in Solutions
Yao Kun Lei, Jun Zhang, Zhen Zhang, et al.
The Journal of Chemical Physics
|
November 10, 2020
Deep learning for variational multiscale molecular modeling
Jun Zhang, Yao-Kun Lei, Yi Isaac Yang, et al.
Journal of Chemical Theory and Computation
|
September 22, 2022
Locating Transition Zone in Phase Space
Yao-Kun Lei, Zhen Zhang, Xu Han, et al.
The Journal of Physical Chemistry Letters
|
September 4, 2019
Deep Representation Learning for Complex Free-Energy Landscapes
Jun Zhang, Yao-Kun Lei, Xing Che, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 17, 2021
Deep reinforcement learning of transition states
Jun 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 Simulations
Jun Zhang, Yao-Kun Lei, Zhen Zhang, et al.
The Journal of Physical Chemistry Letters
|
September 8, 2022
Phase Transition between Crystalline Variants of Ordinary Ice
Maodong Li, Jun Zhang, Haiyang Niu, et al.
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of 1