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2020 – today
- 2024
[j11]Yujin Yan, Hai-Bo Li
, Tong Zhao, Lin-Wang Wang, Lin Shi, Tao Liu, Guangming Tan, Weile Jia, Ninghui Sun:
10-Million Atoms Simulation of First-Principle Package LS3DF. J. Comput. Sci. Technol. 39(2): 45-62 (2024)- [c11]Guofeng Feng, Hongyu Wang, Zhuoqiang Guo, Mingzhen Li, Tong Zhao, Zhou Jin, Weile Jia, Guangming Tan, Ninghui Sun:
Accelerating Large-Scale Sparse LU Factorization for RF Circuit Simulation. Euro-Par (3) 2024: 182-195 - [c10]Siyu Hu, Tong Zhao, Qiuchen Sha, Enji Li, Xiangyu Meng, Liping Liu, Lin-Wang Wang, Guangming Tan, Weile Jia:
Training one DeePMD Model in Minutes: a Step towards Online Learning. PPoPP 2024: 257-269 - [c9]Guofeng Feng, Weile Jia, Ninghui Sun, Guangming Tan, Jiajia Li:
POSTER: Optimizing Sparse Tensor Contraction with Revisiting Hash Table Design. PPoPP 2024: 457-459 - [i5]Jianxiong Li, Boyang Li, Zhuoqiang Guo, Mingzhen Li, Enji Li, Lijun Liu, Guojun Yuan, Zhan Wang, Guangming Tan, Weile Jia:
Scaling Molecular Dynamics with ab initio Accuracy to 149 Nanoseconds per Day. CoRR abs/2410.22867 (2024) - 2023
- [c8]Siyu Hu, Wentao Zhang, Qiuchen Sha, Feng Pan, Lin-Wang Wang, Weile Jia, Guangming Tan, Tong Zhao:
RLEKF: An Optimizer for Deep Potential with Ab Initio Accuracy. AAAI 2023: 7910-7918 - [c7]Jianxiong Li, Tong Zhao, Zhuoqiang Guo, Shunchen Shi, Lijun Liu, Guangming Tan, Weile Jia, Guojun Yuan, Zhan Wang:
Enhance the Strong Scaling of LAMMPS on Fugaku. SC 2023: 97:1-97:13 - 2022
- [c6]Zhuoqiang Guo, Denghui Lu, Yujin Yan, Siyu Hu, Rongrong Liu, Guangming Tan, Ninghui Sun, Wanrun Jiang, Lijun Liu, Yixiao Chen, Linfeng Zhang, Mohan Chen, Han Wang, Weile Jia:
Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms. PPoPP 2022: 205-218 - [c5]Wei Hu, Hong An, Zhuoqiang Guo, Qingcai Jiang, Xinming Qin, Junshi Chen, Weile Jia, Chao Yang, Zhaolong Luo, Jielan Li, Wentiao Wu, Guangming Tan, Dongning Jia, Qinglin Lu, Fangfang Liu, Min Tian, Fang Li, Yeqi Huang, Liyi Wang, Sha Liu, Jinlong Yang:
2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT. SC 2022: 5:1-5:13 - [i4]Zhuoqiang Guo, Denghui Lu, Yujin Yan, Siyu Hu, Rongrong Liu, Guangming Tan, Ninghui Sun, Wanrun Jiang, Lijun Liu, Yixiao Chen, Linfeng Zhang, Mohan Chen, Han Wang, Weile Jia:
Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms. CoRR abs/2201.01446 (2022) - 2021
- [j10]Wei Xue, Haohuan Fu, Weile Jia, Guangming Tan:
Editorial for the special issue on large-scale AI in classical HPC environment and AI for science. CCF Trans. High Perform. Comput. 3(3): 221-223 (2021) - [j9]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) - [j8]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. J. Comput. Phys. 443: 110523 (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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