2020年戈登贝尔奖；2020年两院院士评选十大科技进展新闻；2021年ACM SIGHPC中国新星奖

1.     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’22: Principles and Practice of Parallel Programming 2022, pp
2.     Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, E Weinan, Linfeng Zhang*, "Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning," SC20: International Conference for High Performance Computing, Networking, Storage and Analysis, 2020, pp. 1-14, doi: 10.1109/SC41405.2020.00009.
3.     Weile Jia, Lin-Wang Wang, and Lin Lin. 2019. Parallel transport time-dependent density functional theory calculations with hybrid functional on summit. In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC '19). Association for Computing Machinery, New York, NY, USA, Article 79, 1–23. DOI:https://doi.org/10.1145/3295500.3356144
4.     Jia, Weile, Zongyan Cao, Long Wang, Jiyun Fu, Xuebin Chi, Weiguo Gao, and Lin-Wang Wang*. "The analysis of a plane wave pseudopotential density functional theory code on a GPU machine." Computer Physics Communications 184, no. 1 (2013): 9-18. DOI: https://doi.org/10.1016/j.cpc.2012.08.002
5.     Jia, Weile, Jiyun Fu, Zongyan Cao, Long Wang, Xuebin Chi, Weiguo Gao, and Lin-Wang Wang*. "Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines." Journal of Computational Physics 251 (2013): 102-115. DOI: https://doi.org/10.1016/j.jcp.2013.05.005
6.     Yu VW, Corsetti F, García A, Huhn WP, Jacquelin M, Jia W, Lange B, Lin L, Lu J, Mi W, Seifitokaldani A. ELSI: A unified software interface for Kohn–Sham electronic structure solvers. Computer Physics Communications. 2018 Jan 1;222:267-85. DOI: https://doi.org/10.1016/j.cpc.2017.09.007
7.     L. Wang, W. Jia, Y. Wu, W. Gao, X. Chi and L. Wang*, "Large scale plane wave pseudopotential density functional theory calculations on GPU clusters," SC '11: Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis, 2011, pp. 1-10, doi: 10.1145/2063384.2063479.
8.     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, Jose E. Roman, Álvaro Vázquez-Mayagoitia, Chao Yang, Volker Blum, ELSI — An open infrastructure for electronic structure solvers, Computer Physics Communications, Volume 256, 2020, 107459, ISSN 0010-4655, DOI:https://doi.org/10.1016/j.cpc.2020.107459.
9.     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, Computer Physics Communications, Volume 259, 2021, 107624, ISSN 0010-4655, https://doi.org/10.1016/j.cpc.2020.107624.
10.  Fast Real-Time Time-Dependent Density Functional Theory Calculations with the Parallel Transport Gauge, Weile Jia, Dong An, Lin-Wang Wang, and Lin Lin, Journal of Chemical Theory and Computation 2018 14 (11), 5645-5652, DOI: 10.1021/acs.jctc.8b00580
11.  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, Computer Physics Communications, Volume 211, 2017, Pages 8-15, ISSN 0010-4655, https://doi.org/10.1016/j.cpc.2016.07.003.
12.  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, Journal of Computational Physics, Volume 443, 2021, 110523, ISSN 0021-9991, https://doi.org/10.1016/j.jcp.2021.110523.
13.  Weile Jia, Lin Lin, Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation, Computer Physics Communications, Volume 240, 2019, Pages 21-29, ISSN 0010-4655, https://doi.org/10.1016/j.cpc.2019.02.009.
14.  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, Computer Physics Communications, Volume 219, 2017, Pages 35-44, ISSN 0010-4655, https://doi.org/10.1016/j.cpc.2017.05.005.
15.  Weile Jia and Lin Lin , "Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory", J. Chem. Phys. 147, 144107 (2017) https://doi.org/10.1063/1.5000255
16.  Wei Hu, Xinming Qin, Qingcai Jiang, Junshi Chen, Hong An, Weile Jia, Fang Li, Xin Liu, Dexun Chen, Fangfang Liu, Yuwen Zhao, Jinlong Yang, High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight, Science Bulletin, Volume 66, Issue 2, 2021, Pages 111-119, ISSN 2095-9273, https://doi.org/10.1016/j.scib.2020.06.025.
17.  Mathias Jacquelin, Lin Lin, Weile Jia, Yonghua Zhao, and Chao Yang. 2018. A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems. In Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region (HPC Asia 2018). Association for Computing Machinery, New York, NY, USA, 54–63. DOI: https://doi.org/10.1145/3149457.3149472
18.  Wu, Yue, Weile Jia, Lin-Wang Wang, Weiguo Gao, Long Wang, and Xuebin Chi. "GPU Tuning for First-Principle Electronic Structure Simulations." In GPU Solutions to Multi-scale Problems in Science and Engineering, pp. 235-246. Springer, Berlin, Heidelberg, 2013.

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