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ACS Central Science
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June 3, 2017
Rich Dynamics Underlying Solution Reactions Revealed by Sampling and Data Mining of Reactive Trajectories
Jun Zhang, Zhen Zhang, 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.
Journal of Chemical Theory and Computation
|
July 30, 2025
Performing Path Integral Molecular Dynamics Using an Artificial Intelligence-Enhanced Molecular Simulation Framework
Cheng Fan, Maodong Li, Sihao Yuan, et al.
The Journal of Physical Chemistry. A
|
May 17, 2024
Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer
Sihao Yuan, Xu Han, Jun Zhang, et al.
Journal of Chemical Theory and Computation
|
February 27, 2025
Multiscale Force Field Model Based on a Graph Neural Network for Complex Chemical Systems
Zhaoxin Xie, Yanheng Li, Yijie Xia, et al.
Journal of Chemical Theory and Computation
|
February 12, 2025
Effective Nucleation Size for Ice Crystallization
Maodong Li, Yupeng Huang, Yijie Xia, 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 3
Search research articles
Search
Showing results (11-20 of 22) with videos related to
Sort By:
Page
of 3
ACS Central Science
|
June 3, 2017
Rich Dynamics Underlying Solution Reactions Revealed by Sampling and Data Mining of Reactive Trajectories
Jun Zhang, Zhen Zhang, 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.
Journal of Chemical Theory and Computation
|
July 30, 2025
Performing Path Integral Molecular Dynamics Using an Artificial Intelligence-Enhanced Molecular Simulation Framework
Cheng Fan, Maodong Li, Sihao Yuan, et al.
The Journal of Physical Chemistry. A
|
May 17, 2024
Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer
Sihao Yuan, Xu Han, Jun Zhang, et al.
Journal of Chemical Theory and Computation
|
February 27, 2025
Multiscale Force Field Model Based on a Graph Neural Network for Complex Chemical Systems
Zhaoxin Xie, Yanheng Li, Yijie Xia, et al.
Journal of Chemical Theory and Computation
|
February 12, 2025
Effective Nucleation Size for Ice Crystallization
Maodong Li, Yupeng Huang, Yijie Xia, 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.
Page
of 3