期刊文章: 

[1] Lu, Denghui, Han Wang, Mohan Chen, Lin Lin, Roberto Car, E. Weinan, Weile Jia*, and Linfeng Zhang*. "86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy." Computer Physics Communications 259 (2021): 107624. 

[2] Weile Jia, and Lin Lin. "Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation." Computer Physics Communications 240 (2019): 21-29. 

[3] Jia, Weile, Dong An, Lin-Wang Wang, and Lin Lin. "Fast real-time time-dependent density functional theory calculations with the parallel transport gauge." Journal of chemical theory and computation 14, no. 11 (2018): 5645-5652. 

[4] Jia, Weile, and Lin Lin. "Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory." The Journal of chemical physics 147.14 (2017): 144107. 

[5] Yujin Yan, Haibo 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 on Sugon supercomputer. Journal of Computer Science and Technology. doi: 10.1007/s11390-023-3011-6 

会议文章：

[1] Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, Weinan E, and Linfeng Zhang. 2020. Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning. In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC '20). IEEE Press, Article 5, 1–14. (ACM Gordon Bell Prize)

[2] 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

[3] 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. International Conference for High Performance Computing, Networking, Storage and Analysis (SC23)

[4] 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, International Conference for High Performance Computing, Networking, Storage and Analysis (SC22) (Gordon Bell Finalist)

[5] 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. AAAI23 (Oral)

[6] 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.” PPoPP22: Principles and Practice of Parallel Programming 2022