Jinzhe Zeng's Blog

苟利国家生死以,岂因祸福避趋之

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曾晋哲

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研究

为各种模拟体系开发基于深度学习方法的势能,包括碳氢燃料燃烧、RNA催化反应、药物发现和精密医学。

发表文章

Ab Initio Neural Network MD Simulation of Thermal Decomposition of High Energy Material CL-20/TNT

Liqun Cao, Jinzhe Zeng, Bo Wang, Tong Zhu, John Z.H. Zhang
Physical Chemistry Chemical Physics, 2022, 24, 11801–11811.
DOI: 10.1039/D2CP00710J

Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/molecular Mechanical Simulations of Chemical Reactions in Solution

Jinzhe Zeng, Timothy J. Giese, ̧Sölen Ekesan, Darrin M. York
Journal of Chemical Theory and Computation, 2021, 17 (11), 6993–7009.
DOI: 10.1021/acs.jctc.1c00201

Fragment-based Ab Initio Molecular Dynamics Simulation for Combustion

Liqun Cao, Jinzhe Zeng, Mingyuan Xu, Chih-Hao Chin, Tong Zhu, John ZH Zhang
Molecules, 2021, 26 (11), 3120.
DOI: 10.3390/molecules26113120

Exploring the Chemical Space of Linear Alkane Pyrolysis via Deep Potential GENerator

Jinzhe Zeng, Linfeng Zhang, Han Wang, Tong Zhu
Energy & Fuels, 2021, 35 (1), 762–769.
DOI: 10.1021/acs.energyfuels.0c03211

Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation

Jinzhe Zeng, Liqun Cao, Mingyuan Xu, Tong Zhu, John Z. H. Zhang
Nature Communications, 2020, 11, 5713.
DOI: 10.1038/s41467-020-19497-z

DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models

Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, Weinan E
Computer Physics Communnications, 2020, 253, 107206.
DOI: 10.1016/j.cpc.2020.107206

ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations

Jinzhe Zeng, Liqun Cao, Chih-Hao Chin, Haisheng Ren, John Z. H. Zhang, Tong Zhu
Physical Chemistry Chemical Physics, 2020, 22 (2), 683–691.
DOI: 10.1039/C9CP05091D

Understanding the selectivity of inhibitors toward PI4KIII$\alpha$ and PI4KIII$\beta$ based molecular modeling

Shuaizhen Tian, Jinzhe Zeng, Xiao Liu, Jianzhong Chen, John ZH Zhang, Tong Zhu
Physical Chemistry Chemical Physics, 2019, 21 (39), 22103–22112.
DOI: 10.1039/C9CP03598B

Inorganic-Organic Hybrid Tongue-Mimic for Time-Resolved Luminescent Noninvasive Pattern and Chiral Recognition of Thiols in Biofluids toward Healthcare Monitoring

Xin-Yue Han, Zi-Han Chen, Jin-Zhe Zeng, Qian-Xi Fan, Zheng-Qi Fang, Guoyue Shi, Min Zhang
ACS Applied Materials & Interfaces, 2018, 10 (37), 31725–31734.
DOI: 10.1021/acsami.8b13498