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J

Jinzhe Zeng

University of Science and Technology of China

18H指数
69论文数
2.6K被引数
收录论文 16
发表时间
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A graph neural network for the era of large atomistic models大型原子模型时代的图神经网络
errnpj Computational Materials
IF11.9
err2026-05-25
err0
errOAAI
errDuo Zhang; Anyang Peng; Chun Cai; Wentao Li; Yuanchang Zhou; Jinzhe Zeng; Mingyu Guo; Chengqian Zhang; Bowen Li; Hong Jiang; Tong Zhu; Weile Jia; Linfeng Zhang; Han Wang
err分享
err收藏
dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Setsdpdata: 一个可扩展的Python工具包，用于原子级机器学习数据集
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-10-01
err0
PREAI
errZeng, Jinzhe; Peng, Xingliang; Zhuang, Yong-Bin; Wang, Haidi; Yuan, Fengbo; Zhang, Duo; Liu, Renxi; Wang, Yingze; Tuo, Ping; Zhang, Yuzhi; Chen, Yixiao; Li, Yifan; Nguyen, Cao Thang; Huang, Jiameng; Peng, Anyang; Rynik, Marian; Xu, Wei-Hong; Zhang, Zezhong; Zhou, Xu-Yuan; Chen, Tao; Fan, Jiahao; Jiang, Wanrun; Li, Bowen; Li, Denan; Li, Haoxi; Liang, Wenshuo; Liao, Ruihao; Liu, Liping; Luo, Chenxing; Ward, Logan; Wan, Kaiwei; Wang, Junjie; Xiang, Pan; Zhang, Chengqian; Zhang, Jinchao; Zhou, Rui; Zhu, Jia-Xin; Zhang, Linfeng; Wang, Han
err分享
err收藏
Recent Developments in Amber Biomolecular Simulations琥珀生物分子模拟的最新进展
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-29
err0
errOAAI
errDavid A. Case; David S. Cerutti; Vinícius Wilian D. Cruzeiro; Thomas A. Darden; Robert E. Duke; Mahdieh Ghazimirsaeed; George M. Giambaşu; Timothy J. Giese; Andreas W. Götz; Julie A. Harris; Koushik Kasavajhala; Tai-Sung Lee; Zhen Li; Charles Lin; Jian Liu; Yinglong Miao; Romelia Salomon-Ferrrer; Jana Shen; Ryan Snyder; Jason Swails; Ross C. Walker; Jinan Wang; Xiongwu Wu; Jinzhe Zeng; Thomas E. Cheatham III; Daniel R. Roe; Adrian Roitberg; Carlos Simmerling; Darrin M. York; Maria C. Nagan; Kenneth M. Merz Jr.
err分享
err收藏
From Electronic Structure to Ion Transport: Photoelectron Spectroscopy and Molecular Dynamics Simulations Reveal the Role of Anions in Lithium Battery Electrolytes从电子结构到离子传输：光电子能谱和分子动力学模拟揭示了阴离子在锂离子电池电解液中的作用
errThe Journal of Physical Chemistry A
IF0
err2025-07-08
err0
PREAI
errYanrong Jiang; Wenjin Cao; Xiao-Fei Gao; Jinzhe Zeng; Haoyu Cao; Shunwei Zhu; Wenhao Wang; Xue Cheng; Dongqin Sun; Feiyu Chen; Weijia Zhang; Zhubin Hu; Xue-Bin Wang
err分享
err收藏
Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM ApplicationsMACE图神经网络在范围校正Δ-机器学习势QM/MM应用中的可迁移性
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-05-26
err0
PREAI
errGiese, Timothy J.; Zeng, Jinzhe; York, Darrin M.
err分享
err收藏
DPA-2: a large atomic model as a multi-task learnerDPA-2: 作为多任务学习器的大型原子模型
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-12-19
err0
errOAAI
errZhang, Duo; Liu, Xinzijian; Zhang, Xiangyu; Zhang, Chengqian; Cai, Chun; Bi, Hangrui; Du, Yiming; Qin, Xuejian; Peng, Anyang; Huang, Jiameng; Li, Bowen; Shan, Yifan; Zeng, Jinzhe; Zhang, Yuzhi; Liu, Siyuan; Li, Yifan; Chang, Junhan; Wang, Xinyan; Zhou, Shuo; Liu, Jianchuan; Luo, Xiaoshan; Wang, Zhenyu; Jiang, Wanrun; Wu, Jing; Yang, Yudi; Yang, Jiyuan; Yang, Manyi; Gong, Fu-Qiang; Zhang, Linshuang; Shi, Mengchao; Dai, Fu-Zhi; York, Darrin M.; Liu, Shi; Zhu, Tong; Zhong, Zhicheng; Lv, Jian; Cheng, Jun; Jia, Weile; Chen, Mohan; Ke, Guolin; Weinan, E.; Zhang, Linfeng; Wang, Han
err分享
err收藏
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-10
err6
PREAI
errTao, Yujun; Giese, Timothy J.; Ekesan, Solen; Zeng, Jinzhe; Aradi, Balint; Ben Hourahine; Aktulga, Hasan Metin; Gotz, Andreas W.; Merz Jr, Kenneth M.; York, Darrin M.
err分享
err收藏
DeePMD-kit v2: A software package for deep potential modelsDeepmd-kit v2: 用于深潜模型的软件包
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-01
err153
errOAAI
errZeng, Jinzhe; Zhang, Duo; Lu, Denghui; Mo, Pinghui; Li, Zeyu; Chen, Yixiao; Rynik, Marian; Huang, Li'ang; Li, Ziyao; Shi, Shaochen; Wang, Yingze; Ye, Haotian; Tuo, Ping; Yang, Jiabin; Ding, Ye; Li, Yifan; Tisi, Davide; Zeng, Qiyu; Bao, Han; Xia, Yu; Huang, Jiameng; Muraoka, Koki; Wang, Yibo; Chang, Junhan; Yuan, Fengbo; Bore, Sigbjorn Loland; Cai, Chun; Lin, Yinnian; Wang, Bo; Xu, Jiayan; Zhu, Jia-Xin; Luo, Chenxing; Zhang, Yuzhi; Goodall, Rhys E. A.; Liang, Wenshuo; Singh, Anurag Kumar; Yao, Sikai; Zhang, Jingchao; Wentzcovitch, Renata; Han, Jiequn; Liu, Jie; Jia, Weile; York, Darrin M.; E, Weinan; Car, Roberto; Zhang, Linfeng; Wang, Han
err分享
err收藏
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-22
err18
errOAAI
errZeng, Jinzhe; Tao, Yujun; Giese, Timothy J.; York, Darrin M.
err分享
err收藏
QDp: A Quantum Deep Potential Interaction Model for Drug Discovery
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-25
err24
PREAI
errZeng, Jinzhe; Tao, Yujun; Giese, Timothy J.; York, Darrin M.
err分享
err收藏
Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-16
err27
errOAAI
errGiese, Timothy J.; Zeng, Jinzhe; Ekesan, Solen; York, Darrin M.
err分享
err收藏
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-10-13
err62
errOAAI
errZeng, Jinzhe; Giese, Timothy J.; Ekesan, Solen; York, Darrin M.
err分享
err收藏
Fragment-Based Ab Initio Molecular Dynamics Simulation for Combustion
errMOLECULES
IF4.6
err2021-05-23
err2
errOAAI
errCao, Liqun; Zeng, Jinzhe; Xu, Mingyuan; Chin, Chih-Hao; Zhu, Tong; Zhang, John Z. H.
err分享
err收藏
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation基于神经网络的分子动力学模拟揭示了燃烧中的复杂反应过程
errNATURE COMMUNICATIONS
IF15.7
err2020-11-11
err169
errOAAI
errZeng, Jinzhe; Cao, Liqun; Xu, Mingyuan; Zhu, Tong; Zhang, John Z. H.
err分享
err收藏
DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy modelsDp-gen: 用于生成可靠的基于深度学习的势能模型的并发学习平台
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2020-08-01
err461
errOAAI
errZhang, Yuzhi; Wang, Haidi; Chen, Weijie; Zeng, Jinzhe; Zhang, Linfeng; Wang, Han; Weinan, E.
err分享
err收藏
Inorganic-Organic Hybrid Tongue-Mimic for Time-Resolved Luminescent Noninvasive Pattern and Chiral Recognition of Thiols in Biofluids toward Healthcare Monitoring
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2018-08-27
err27
PREAI
errHan, Xin-Yue; Chen, Zi-Han; Zeng, Jin-Zhe; Fan, Qian-Xi; Fang, Zheng-Qi; Shi, Guoyue; Zhang, Min
err分享
err收藏

研究方向

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合作学者
合作期刊
R
Roberto Car
H 指数: 108 · 论文数: 590
D
David A. Case
H 指数: 107 · 论文数: 518
E Weinan 封面图
E Weinan (E Weinan)
H 指数: 95 · 论文数: 579
K
Kenneth M. Merz
H 指数: 83 · 论文数: 691
程
程军 (Jun Cheng)
H 指数: 77 · 论文数: 627
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