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Jinzhe Zeng

Showing results (1-10 of 24) with videos related to

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The Journal of Physical Chemistry. B|May 26, 2025
Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM ApplicationsTimothy J Giese, Jinzhe Zeng, Darrin M York
The Journal of Physical Chemistry. A|October 27, 2022
Multireference Generalization of the Weighted Thermodynamic Perturbation MethodTimothy J Giese, Jinzhe Zeng, Darrin M York
Journal of Chemical Theory and Computation|January 25, 2023
QDπ: A Quantum Deep Potential Interaction Model for Drug DiscoveryJinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Journal of Chemical Theory and Computation|October 13, 2021
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in SolutionJinzhe Zeng, Timothy J Giese, Şölen Ekesan, et al.
The Journal of Chemical Physics|April 1, 2023
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation statesJinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Journal of Chemical Theory and Computation|June 16, 2022
Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage ReactionsTimothy J Giese, Jinzhe Zeng, Şölen Ekesan, et al.
Scientific Data|April 25, 2025
The QDπ dataset, training data for drug-like molecules and biopolymer fragments and their interactionsJinzhe Zeng, Timothy J Giese, Andreas W Götz, et al.
Journal of Chemical Information and Modeling|March 28, 2025
DeePMD-GNN: A DeePMD-kit Plugin for External Graph Neural Network PotentialsJinzhe Zeng, Timothy J Giese, Duo Zhang, et al.
Physical Chemistry Chemical Physics : PCCP|May 4, 2022
<i>Ab initio</i> neural network MD simulation of thermal decomposition of a high energy material CL-20/TNTLiqun Cao, Jinzhe Zeng, Bo Wang, et al.
Nature Communications|November 12, 2020
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulationJinzhe Zeng, Liqun Cao, Mingyuan Xu, et al.
Pageof 3

Showing results (1-10 of 24) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. B|May 26, 2025
Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM ApplicationsTimothy J Giese, Jinzhe Zeng, Darrin M York
The Journal of Physical Chemistry. A|October 27, 2022
Multireference Generalization of the Weighted Thermodynamic Perturbation MethodTimothy J Giese, Jinzhe Zeng, Darrin M York
Journal of Chemical Theory and Computation|January 25, 2023
QDπ: A Quantum Deep Potential Interaction Model for Drug DiscoveryJinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Journal of Chemical Theory and Computation|October 13, 2021
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in SolutionJinzhe Zeng, Timothy J Giese, Şölen Ekesan, et al.
The Journal of Chemical Physics|April 1, 2023
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation statesJinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Journal of Chemical Theory and Computation|June 16, 2022
Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage ReactionsTimothy J Giese, Jinzhe Zeng, Şölen Ekesan, et al.
Scientific Data|April 25, 2025
The QDπ dataset, training data for drug-like molecules and biopolymer fragments and their interactionsJinzhe Zeng, Timothy J Giese, Andreas W Götz, et al.
Journal of Chemical Information and Modeling|March 28, 2025
DeePMD-GNN: A DeePMD-kit Plugin for External Graph Neural Network PotentialsJinzhe Zeng, Timothy J Giese, Duo Zhang, et al.
Physical Chemistry Chemical Physics : PCCP|May 4, 2022
<i>Ab initio</i> neural network MD simulation of thermal decomposition of a high energy material CL-20/TNTLiqun Cao, Jinzhe Zeng, Bo Wang, et al.
Nature Communications|November 12, 2020
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulationJinzhe Zeng, Liqun Cao, Mingyuan Xu, et al.
Pageof 3