賈偉樂，男，中國科學院計算技術研究所研究員。致力於智慧型科學計算（HPC+AI）研究，其參與研發的高性能深度學習分子動力學軟體，比同類型軟體效率提高3個數量級，被廣泛套用（軟體被用戶套用在Nature, Science, PRL上發表文章）。以第一作者獲2020年高性能計算戈登貝爾獎，入選2020年兩院院士評選的中國十大科技進展新聞。
基本介紹
人物經歷,研究方向,主要成就,出版信息,科研項目,所獲榮譽,
人物經歷
2023年10月至 今：中國科學院計算技術研究所，研究員（博導）
2020年11月 至 2023年9月：中科院計算技術研究所，副研究員（博士生導師）
2016年7月 至 2020年10月：加州大學伯克利分校 數學系 博士後 （導師：林霖）
2014年9月 至 2016年3月 勞倫斯伯克利國家實驗室 材料科學系 聯合培養博士生（導師：汪林望）
2013年9月 至 2016年7月 中國科學院大學（計算機網路信息中心） 博士（導師：遲學斌）
2009年9月 至 2013年1月 中國科學院大學（計算機網路信息中心） 碩士（導師：遲學斌）
2003年8月 至 2007年7月 西安電子科技大學 學士
研究方向
主要成就
出版信息
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*, PPoPP’22: Principles and Practice of Parallel Programming 2022, Accepted.
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.
科研項目
0. 中國科學院網路安全和信息化專項2022年度套用示範項目， 主持，院級項目，450萬，2022年1月1日-2023年12月31日
1. 人工智慧大數據與化學、材料或生物科學的結合（機器科學家），參與，中科院穩定支持基礎科學領域青年科學家團隊計畫， 2000萬，2021-2026
2. 第一性原理分子動力學的智慧型科學計算模型，主持，體系結構國家重點實驗室主任基金，100萬，2021-2022
3. 基於智慧型算法的科學計算系統，課題負責人，600萬，2021-2025
4. 眾核架構上大規模分塊治之電子結構算法研究, 主持, 計算所創新課題, 100萬，2021-01--2022-12
所獲榮譽
2022年11月，ACM Gordon Bell 獎入圍
2021年11月，ACM SIGHPC新星獎, ACM中國新星入圍獎
2020兩院院士評選國內十大科技進展新聞
2020年11月，高性能計算套用"戈登貝爾獎"(ACM Gordon Bell Prize)
