| The analysis of a plane wave pseudopotential density functional theory code on a GPU machine W Jia, Z Cao, L Wang, J Fu, X Chi, W Gao, LW Wang Computer Physics Communications 184 (1), 9-18, 2013 | 249 | 2013 |
| Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines W Jia, J Fu, Z Cao, L Wang, X Chi, W Gao, LW Wang Journal of Computational Physics 251, 102-115, 2013 | 226 | 2013 |
| 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 | 159 | 2020 |
| 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 | 109 | 2021 |
| ELSI: A unified software interface for Kohn–Sham electronic structure solvers VW Yu, F Corsetti, A García, WP Huhn, M Jacquelin, W Jia, B Lange, L Lin, ... Computer Physics Communications 222, 267-285, 2018 | 81 | 2018 |
| ELSI—An open infrastructure for electronic structure solvers VW Yu, C Campos, W Dawson, A García, V Havu, B Hourahine, WP Huhn, ... Computer Physics Communications 256, 107459, 2020 | 33 | 2020 |
| Large scale plane wave pseudopotential density functional theory calculations on GPU clusters L Wang, W Jia, Y Wu, W Gao, X Chi, LW Wang Proceedings of 2011 International Conference for High Performance Computing …, 2011 | 33 | 2011 |
| Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks L Zepeda-Núñez, Y Chen, J Zhang, W Jia, L Zhang, L Lin Journal of Computational Physics 443, 110523, 2021 | 23 | 2021 |
| Fast real-time time-dependent density functional theory calculations with the parallel transport gauge W Jia, D An, LW Wang, L Lin J. Chem. Theory Comput., 2018 | 21 | 2018 |
| 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 | 19 | 2022 |
| SGO: A fast engine for ab initio atomic structure global optimization by differential evolution Z Chen, W Jia, X Jiang, SS Li, LW Wang Computer Physics Communications 219, 35-44, 2017 | 16 | 2017 |
| GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations W Jia, J Wang, X Chi, LW Wang Computer Physics Communications 211, 8-15, 2017 | 14 | 2017 |
| 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 | 13 | 2022 |
| High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight W Hu, X Qin, Q Jiang, J Chen, H An, W Jia, F Li, X Liu, D Chen, F Liu, ... Science Bulletin 66 (2), 111-119, 2021 | 12 | 2021 |
| 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 arXiv e-prints, arXiv: 2107.02103, 2021 | 11 | 2021 |
| Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation W Jia, L Lin Computer Physics Communications 240, 21-29, 2019 | 11 | 2019 |
| Parallel transport time-dependent density functional theory calculations with hybrid functional on summit W Jia, LW Wang, L Lin Proceedings of the International Conference for High Performance Computing …, 2019 | 8 | 2019 |
| Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory W Jia, L Lin The Journal of Chemical Physics 147 (14), 144107, 2017 | 7 | 2017 |
| A left-looking selected inversion algorithm and task parallelism on shared memory systems M Jacquelin, L Lin, W Jia, Y Zhao, C Yang Proceedings of the International Conference on High Performance Computing in …, 2018 | 5 | 2018 |
| Vµzquez-Mayagoitia, C. Yang, H. Yang, V. Blum VW Yu, F Corsetti, A García, WP Huhn, M Jacquelin, W Jia, B Lange, L Lin, ... Comput. Phys. Commun 222, 267-285, 2018 | 2 | 2018 |
Lin LinUniversity of California, BerkeleyVerified email at math.berkeley.edu
