Jinzhe Zeng
Affiliations: | 2015-2019 | School of Chemistry and Molecular Engineering | East China Normal University, Shanghai, Shanghai Shi, China |
| 2019-2025 | Department of Chemistry and Chemical Biology | Rutgers University, New Brunswick, New Brunswick, NJ, United States | |
| 2025- | School of Artificial Intelligence and Data Science | University of Science and Technology of China, Hefei Shi, Anhui Sheng, China |
Area:
AI for Science; Computational ChemistryWebsite:
http://faculty.ustc.edu.cn/jinzhezeng/Google:
"P7gRtg4AAAAJ"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Tong Zhu | research assistant | 2017-2019 | East China Normal University | |
| (Undergraduate) | ||||
| Darrin M. York | grad student | 2019-2025 | Rutgers, New Brunswick | |
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Publications
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| Zeng J, Zhang D, Peng A, et al. (2025) DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials. Journal of Chemical Theory and Computation |
| Zeng J, Giese TJ, Götz AW, et al. (2025) The QDπ dataset, training data for drug-like molecules and biopolymer fragments and their interactions. Scientific Data. 12: 693 |
| Zeng J, Giese TJ, Zhang D, et al. (2025) DeePMD-GNN: A DeePMD-kit Plugin for External Graph Neural Network Potentials. Journal of Chemical Information and Modeling |
| Giese TJ, Zeng J, Lerew L, et al. (2024) Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields. The Journal of Physical Chemistry. B |
| Tao Y, Giese TJ, Ekesan Ş, et al. (2024) Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials. The Journal of Chemical Physics. 160 |
| Zeng J, Zhang D, Lu D, et al. (2023) DeePMD-kit v2: A software package for deep potential models. The Journal of Chemical Physics. 159 |
| Zeng J, Tao Y, Giese TJ, et al. (2023) Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states. The Journal of Chemical Physics. 158: 124110 |
| Zeng J, Tao Y, Giese TJ, et al. (2023) QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. Journal of Chemical Theory and Computation |
| Giese TJ, Zeng J, York DM. (2022) Multireference Generalization of the Weighted Thermodynamic Perturbation Method. The Journal of Physical Chemistry. A |
| Giese TJ, Zeng J, Ekesan Ş, et al. (2022) Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions. Journal of Chemical Theory and Computation |