logo
CanyamAI summaries for academic research
language
MobileMobile
  • Phone FeatureWeChat Mini Program
EnglishEnglish
noticeNotice
BlogBlog
delete
arrow
Back
J

Jinzhe Zeng

University of Science and Technology of China

18H-index
69Paper Count
2.6KCitation Count
Published Papers 16
Publication Date
logo
A graph neural network for the era of large atomistic models
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
errShare
errSave
dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets
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
errShare
errSave
Recent Developments in Amber Biomolecular Simulations
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.
errShare
errSave
From Electronic Structure to Ion Transport: Photoelectron Spectroscopy and Molecular Dynamics Simulations Reveal the Role of Anions in Lithium Battery Electrolytes
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
errShare
errSave
Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM Applications
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-05-26
err0
PREAI
errGiese, Timothy J.; Zeng, Jinzhe; York, Darrin M.
errShare
errSave
DPA-2: a large atomic model as a multi-task learner
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
errShare
errSave
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.
errShare
errSave
DeePMD-kit v2: A software package for deep potential models
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
errShare
errSave
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.
errShare
errSave
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.
errShare
errSave
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.
errShare
errSave
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.
errShare
errSave
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.
errShare
errSave
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation
errNATURE COMMUNICATIONS
IF15.7
err2020-11-11
err169
errOAAI
errZeng, Jinzhe; Cao, Liqun; Xu, Mingyuan; Zhu, Tong; Zhang, John Z. H.
errShare
errSave
DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2020-08-01
err461
errOAAI
errZhang, Yuzhi; Wang, Haidi; Chen, Weijie; Zeng, Jinzhe; Zhang, Linfeng; Wang, Han; Weinan, E.
errShare
errSave
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
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
R
Roberto Car
H-index: 108 · Papers: 589
D
David A. Case
H-index: 107 · Papers: 518
E
E Weinan
H-index: 95 · Papers: 579
K
Kenneth M. Merz
H-index: 83 · Papers: 690
程
程军 (Jun Cheng)
H-index: 77 · Papers: 626
View more