| 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 | 542 | 2020 |
| 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 | 212 | 2020 |
| 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 | 196 | 2023 |
| 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 | 115 | 2020 |
| 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 | 66 | 2021 |
| 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 | 47 | 2021 |
| 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 | 30 | 2022 |
| 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 | 29 | 2022 |
| 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 | 27 | 2018 |
| 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 | 24 | 2019 |
| 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 | 22 | 2023 |
| 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 | 20 | 2023 |
| 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 | 16 | 2023 |
| 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 | 13 | 2022 |
| 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 | 8 | 2023 |
| 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 | 6 | 2024 |
| Neural network potentials J Zeng, L Cao, T Zhu Quantum Chemistry in the Age of Machine Learning, 279-294, 2023 | 5 | 2023 |
| 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 | 3 | 2024 |
| 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 | 2 | 2024 |
| 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 | 1 | 2022 |
Tong Zhu (朱通)Professor, East China Normal UniversityVerified email at lps.ecnu.edu.cn
