| Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning W Jia, H Wang, M Chen, D Lu, L Lin, R Car, E Weinan, L Zhang SC20: International conference for high performance computing, networking …, 2020 | 304 | 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), 2023 | 236 | 2023 |
| 86 PFLOPS deep potential molecular dynamics simulation of 100 million atoms with ab initio accuracy D Lu, H Wang, M Chen, L Lin, R Car, E Weinan, W Jia, L Zhang Computer Physics Communications 259, 107624, 2021 | 186 | 2021 |
| DP compress: A model compression scheme for generating efficient deep potential models D Lu, W Jiang, Y Chen, L Zhang, W Jia, H Wang, M Chen Journal of chemical theory and computation 18 (9), 5559-5567, 2022 | 67 | 2022 |
| Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms Z Guo, D Lu, Y Yan, S Hu, R Liu, G Tan, N Sun, W Jiang, L Liu, Y Chen, ... Proceedings of the 27th ACM SIGPLAN Symposium on Principles and Practice of …, 2022 | 40 | 2022 |
| Structure and dynamics of warm dense aluminum: a molecular dynamics study with density functional theory and deep potential Q Liu, D Lu, M Chen Journal of Physics: Condensed Matter 32 (14), 144002, 2020 | 34 | 2020 |
| DP train, then DP compress: model compression in deep potential molecular dynamics D Lu, W Jiang, Y Chen, L Zhang, W Jia, H Wang, M Chen Preprint at https://arxiv. org/abs/2107.02103, 2021 | 15 | 2021 |
| High-speed and low-power molecular dynamics processing unit (MDPU) with ab initio accuracy P Mo, Y Zhang, Z Zhao, H Sun, J Li, D Guan, X Ding, X Zhang, B Chen, ... npj Computational Materials 10 (1), 253, 2024 | 1 | 2024 |
| ABACUS: An Electronic Structure Analysis Package for the AI Era W Zhou, D Zheng, Q Liu, D Lu, Y Liu, P Lin, Y Huang, X Peng, JJ Bao, ... arXiv preprint arXiv:2501.08697, 2025 | | 2025 |
Mohan ChenAssistant Professor, Peking UniversityAdresse e-mail validée de pku.edu.cn