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
1492013
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
1262013
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
492018
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
45*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
322021
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
312011
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
152020
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
112018
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
102017
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
82021
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
82017
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
72019
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
62017
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
52021
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
52018
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
32019
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
32018
GPU Tuning for First-Principle Electronic Structure Simulations
Y Wu, W Jia, LW Wang, W Gao, L Wang, X Chi
GPU Solutions to Multi-scale Problems in Science and Engineering, 235-246, 2013
22013
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 preprint arXiv:2107.02103, 2021
2021
Unified Access To Kohn-Sham DFT Solvers for Different Scales and HPC: The ELSI Project
W Huhn, A Garcia, L Genovese, V Havu, M Jacquelin, W Jia, M Keceli, ...
APS March Meeting Abstracts 2018, C34. 008, 2018
2018
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Articles 1–20