Follow
Weile Jia (贾伟乐)
Weile Jia (贾伟乐)
Verified email at ict.ac.cn - Homepage
Title
Cited by
Cited by
Year
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
3392013
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
3062013
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
2272020
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
1572021
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
1062018
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
952023
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
442022
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
442020
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
352011
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
322021
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
272022
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
252018
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
202021
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
192017
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
192017
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
152019
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
132021
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
112019
2.5 million-atom ab initio electronic-structure simulation of complex metallic heterostructures with dgdft
W Hu, H An, Z Guo, Q Jiang, X Qin, J Chen, W Jia, C Yang, Z Luo, J Li, ...
SC22: International Conference for High Performance Computing, Networking …, 2022
82022
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), 2017
82017
The system can't perform the operation now. Try again later.
Articles 1–20