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Jinzhe Zeng
Jinzhe Zeng
Sonstige NamenJin-Zhe Zeng, Jinzhe Zeng (曾晋哲)
Rutgers University
Bestätigte E-Mail-Adresse bei chem.rutgers.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models
Y Zhang, H Wang, W Chen, J Zeng, L Zhang, H Wang, W E
Computer Physics Communications 253, 107206, 2020
4292020
Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation
J Zeng, L Cao, M Xu, T Zhu, JZH Zhang
Nature communications 11 (1), 5713, 2020
1802020
DeePMD-kit v2: A software package for Deep Potential models
J Zeng, D Zhang, D Lu, P Mo, Z Li, Y Chen, M Rynik, L Huang, Z Li, S Shi, ...
The Journal of Chemical Physics 159 (5), 054801, 2023
1122023
ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations
J Zeng, L Cao, CH Chin, H Ren, JZH Zhang, T Zhu
Physical chemistry chemical physics 22 (2), 683-691, 2020
912020
Development of range-corrected deep learning potentials for fast, accurate quantum mechanical/molecular mechanical simulations of chemical reactions in solution
J Zeng, TJ Giese, Ş Ekesan, DM York
Journal of Chemical Theory and Computation 17 (11), 6993-7009, 2021
592021
Exploring the Chemical Space of Linear Alkane Pyrolysis via Deep Potential GENerator
J Zeng, L Zhang, H Wang, T Zhu
Energy & Fuels 35 (1), 762-769, 2021
392021
Inorganic–Organic Hybrid Tongue-Mimic for Time-Resolved Luminescent Noninvasive Pattern and Chiral Recognition of Thiols in Biofluids toward Healthcare Monitoring
XY Han, ZH Chen, JZ Zeng, QX Fan, ZQ Fang, G Shi, M Zhang
ACS applied materials & interfaces 10 (37), 31725-31734, 2018
272018
Understanding the selectivity of inhibitors toward PI4KIIIα and PI4KIIIβ based molecular modeling
S Tian, J Zeng, X Liu, J Chen, JZH Zhang, T Zhu
Physical Chemistry Chemical Physics 21 (39), 22103-22112, 2019
242019
Combined QM/MM, machine learning path integral approach to compute free energy profiles and kinetic isotope effects in RNA cleavage reactions
TJ Giese, J Zeng, S Ekesan, DM York
Journal of chemical theory and computation 18 (7), 4304-4317, 2022
232022
Ab initio neural network MD simulation of thermal decomposition of a high energy material CL-20/TNT
L Cao, J Zeng, B Wang, T Zhu, JZH Zhang
Physical Chemistry Chemical Physics 24 (19), 11801-11811, 2022
222022
QDπ: A quantum deep potential interaction model for drug discovery
J Zeng, Y Tao, TJ Giese, DM York
Journal of chemical theory and computation 19 (4), 1261-1275, 2023
182023
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states
J Zeng, Y Tao, TJ Giese, DM York
The Journal of chemical physics 158 (12), 124110, 2023
142023
Multireference Generalization of the Weighted Thermodynamic Perturbation Method
TJ Giese, J Zeng, DM York
The Journal of Physical Chemistry A 126 (45), 8519-8533, 2022
122022
DPA-2: Towards a universal large atomic model for molecular and material simulation
D Zhang, X Liu, X Zhang, C Zhang, C Cai, H Bi, Y Du, X Qin, J Huang, B Li, ...
arXiv preprint arXiv:2312.15492, 2023
112023
Learning DeePMD-kit: A guide to building deep potential models
W Liang, J Zeng, DM York, L Zhang, H Wang
A Practical Guide to Recent Advances in Multiscale Modeling and Simulation …, 2023
62023
Neural network potentials
J Zeng, L Cao, T Zhu
Quantum Chemistry in the Age of Machine Learning, 279-294, 2023
52023
Dflow, a Python framework for constructing cloud-native AI-for-Science workflows
X Liu, Y Han, Z Li, J Fan, C Zhang, J Zeng, Y Shan, Y Yuan, WH Xu, ...
arXiv preprint arXiv:2404.18392, 2024
22024
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
Y Tao, TJ Giese, Ş Ekesan, J Zeng, B Aradi, B Hourahine, HM Aktulga, ...
The Journal of Chemical Physics 160 (22), 2024
12024
Software Infrastructure for Next-Generation QM/MM− ΔMLP Force Fields
TJ Giese, J Zeng, L Lerew, E McCarthy, Y Tao, S Ekesan, DM York
The Journal of Physical Chemistry B, 2024
12024
Growth of polycyclic aromatic hydrocarbon and soot inception by in silico simulation
B Wang, J Zeng, L Cao, CH Chin, D York, T Zhu, J Zhang
12022
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