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2020 – today
- 2021
[j8]Denghui Lu
, Han Wang, Mohan Chen, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang:
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. Comput. Phys. Commun. 259: 107624 (2021)- 2020
- [j7]Victor Wen-zhe Yu, Carmen Campos, William Dawson, Alberto García, Ville Havu, Ben Hourahine, William P. Huhn, Mathias Jacquelin, Weile Jia, Murat Keçeli, Raul Laasner, Yingzhou Li, Lin Lin, Jianfeng Lu, Jonathan Moussa, José E. Román, Álvaro Vázquez-Mayagoitia, Chao Yang, Volker Blum:
ELSI - An open infrastructure for electronic structure solvers. Comput. Phys. Commun. 256: 107459 (2020) - [c4]Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, Weinan E, Linfeng Zhang:
Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning. SC 2020: 5 - [i3]Denghui Lu, Han Wang, Mohan Chen, Jiduan Liu, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang:
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. CoRR abs/2004.11658 (2020)
2010 – 2019
- 2019
- [j6]Weile Jia, Lin Lin:
Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation. Comput. Phys. Commun. 240: 21-29 (2019) - [c3]Weile Jia, Lin-Wang Wang, Lin Lin:
Parallel transport time-dependent density functional theory calculations with hybrid functional on summit. SC 2019: 79:1-79:23 - [i2]Leonardo Zepeda-Núñez, Yixiao Chen, Jiefu Zhang, Weile Jia, Linfeng Zhang, Lin Lin:
Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks. CoRR abs/1912.00775 (2019) - 2018
- [j5]Victor Wen-zhe Yu, Fabiano Corsetti, Alberto García, William P. Huhn, Mathias Jacquelin, Weile Jia, Björn Lange, Lin Lin, Jianfeng Lu, Wenhui Mi, Ali Seifitokaldani, Álvaro Vázquez-Mayagoitia, Chao Yang, Haizhao Yang, Volker Blum:
ELSI: A unified software interface for Kohn-Sham electronic structure solvers. Comput. Phys. Commun. 222: 267-285 (2018) - [c2]Mathias Jacquelin, Lin Lin, Weile Jia, Yonghua Zhao, Chao Yang:
A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems. HPC Asia 2018: 54-63 - 2017
- [j4]Weile Jia, Jue Wang, Xuebin Chi, Lin-Wang Wang:
GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations. Comput. Phys. Commun. 211: 8-15 (2017) - [j3]Zhanghui Chen, Weile Jia, Xiangwei Jiang, Shu-Shen Li, Lin-Wang Wang:
SGO: A fast engine for ab initio atomic structure global optimization by differential evolution. Comput. Phys. Commun. 219: 35-44 (2017) - 2016
- [i1]Mathias Jacquelin, Lin Lin, Weile Jia, Yonghua Zhao, Chao Yang:
A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems. CoRR abs/1604.02528 (2016) - 2013
- [j2]Weile Jia, Zongyan Cao, Long Wang, Jiyun Fu, Xuebin Chi, Weiguo Gao, Lin-Wang Wang:
The analysis of a plane wave pseudopotential density functional theory code on a GPU machine. Comput. Phys. Commun. 184(1): 9-18 (2013) - [j1]Weile Jia, Jiyun Fu, Zongyan Cao, Long Wang, Xuebin Chi, Weiguo Gao, Lin-Wang Wang:
Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines. J. Comput. Phys. 251: 102-115 (2013) - 2011
- [c1]Long Wang, Yue Wu, Weile Jia, Weiguo Gao, Xuebin Chi, Lin-Wang Wang:
Large scale plane wave pseudopotential density functional theory calculations on GPU clusters. SC 2011: 71:1-71:10
Coauthor Index
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