Million-Atom Ab Initio Electron Dynamics: Discontinuous Galerkin Real-Time Time-Dependent Density Functional Theory

Junwei FengJunshi ChenXiangyu ZhangJunhui LiuXinming QinLingyun WanSheng ChenWentiao Wu

计算物理与量子化学方向论文：Million-Atom Ab Initio Electron Dynamics: Discontinuous Galerkin Real-Ti

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内容导读Reading note

分类与摘要Category & abstract

服务于 DFT、电子动力学等计算物理/化学问题，强调更大尺度模拟能力。

Evidence note

Junwei Feng University of Science and Technology of China Hefei, Anhui, China fengjw@mail.ustc.edu.cn Junshi Chen University of Science and Technology of China Hefei, Anhui, China Laoshan Laboratory Qingdao, Shandong, China cjuns@ustc.edu.cn Xiangyu Zhang State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences Beijing, China University of Chinese Academy of Sciences Beijing, Chin || Junwei Feng University of Science and Technology of China Hefei, Anhui, China fengjw@mail.ustc.edu.cn Junshi Chen University of Science and Technology of China Hefei, Anhui, China Laoshan Laboratory Qingdao, Shandong, China cjuns@ustc.edu.cn Xiangyu Zhang State Key Lab of Processors, Institute of Computing Technology, Chinese Academy of Sciences Beijing, China University of Chinese Academy of Sciences Be || tional Natural Science Foundation of China (22288201, 22173093, 22373096, 21688102), the CAS Project for Young Scientists in Basic Research (YSBR-005), and the Laoshan Laboratory (LSKJ202300305). We sincerely thank Professor Lijun Liu (Osaka University) for pro- viding access to the Fugaku platform, and Professor Yutong Lu (Sun Yat-sen University) for supporting our use of the LS-Pilot platform. The authors th || tional Natural Science Foundation of China (22288201, 22173093, 22373096, 21688102), the CAS Project for Young Scientists in Basic Research (YSBR-005), and the Laoshan Laboratory (LSKJ202300305). We sincerely thank Professor Lijun Liu (Osaka University) for pro- viding access to the Fugaku platform, and Professor Yutong Lu (Sun Yat-sen University) for supporting our use of the LS-Pilot platform. The a

Metadata

完整论文信息Full record

title: Million-Atom Ab Initio Electron Dynamics: Discontinuous Galerkin Real-Time Time-Dependent Density Functional Theory
title_zh: 待补充
abstract: 待补充
abstract_zh: 待补充
keywords: DFT, CCF A
year: 2025
published_date: 待补充
online_date: 待补充
paper_type: Conference
publication_status: Published
volume: 待补充
issue: 待补充
pages: 待补充
article_number: 待补充
publisher: 待补充
doi: 10.1145/3712285.3759813
research_area: 计算物理与量子化学
tags: DFT, CCF A
category: 计算物理与量子化学
summary: 服务于 DFT、电子动力学等计算物理/化学问题，强调更大尺度模拟能力。
authors: Junwei Feng, Junshi Chen, Xiangyu Zhang, Junhui Liu, Xinming Qin, Lingyun Wan, Sheng Chen, Wentiao Wu
corresponding_authors: 待补充
affiliations: 崂山实验室, 待补充
funding: 崂山实验室项目

Research area

计算物理与量子化学

Citation

Junwei Feng, Junshi Chen, Xiangyu Zhang, Junhui Liu, Xinming Qin, Lingyun Wan, Sheng Chen, Wentiao Wu, Bingkun Hou, Yexuan Lin, Yihong Zhang, Zechuan Zhang, Yijun Hu, Weile Jia*, Hong An*, Jinlong Yang*, Wei Hu*; Million-Atom Ab Initio Electron Dynamics: Discontinuous Galerkin Real-Time Time-Dependent Density Functional Theory; In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (pp. 1874-1887). (CCF-A)

BibTeX

@article{acsa2025_10,
  title = {Million-Atom Ab Initio Electron Dynamics: Discontinuous Galerkin Real-Time Time-Dependent Density Functional Theory},
  year = {2025},
  doi = {10.1145/3712285.3759813}
}