High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers

Xinming QinJunshi ChenZhaolong LuoLingyun WanJielan LiShizhe JiaoZhenlin ZhangQingcai Jiang

高性能计算与并行算法方向论文：High performance computing for first-principles Kohn-Sham density functi

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内容导读Reading note

分类与摘要Category & abstract

关注大规模并行算法、超算平台和性能优化，是 HPC 方向的重要条目。

Metadata

完整论文信息Full record

title: High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers
title_zh: 待补充
abstract: 待补充
abstract_zh: 待补充
keywords: HPC, DFT
year: 2022
published_date: 待补充
online_date: 待补充
paper_type: Journal
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: 10.1007/s42514-022-00120-0
research_area: 高性能计算与并行算法
tags: HPC, DFT
category: 高性能计算与并行算法
summary: 关注大规模并行算法、超算平台和性能优化，是 HPC 方向的重要条目。
authors: Xinming Qin, Junshi Chen, Zhaolong Luo, Lingyun Wan, Jielan Li, Shizhe Jiao, Zhenlin Zhang, Qingcai Jiang
corresponding_authors: 待补充
affiliations: 待补充
funding: 待补充

Research area

高性能计算与并行算法

Citation

Xinming Qin, Junshi Chen, Zhaolong Luo, Lingyun Wan, Jielan Li, Shizhe Jiao, Zhenlin Zhang, Qingcai Jiang, Wei Hu, Hong An, Jinlong Yang. High Performance Computing for First-Principles Kohn-Sham Density Functional Theory Towards Exascale Supercomputers. CCF Transactions on High Performance Computing (THPC), 5 (1), 26-42

BibTeX

@article{acsa2022_23,
  title = {High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers},
  year = {2022},
  doi = {10.1007/s42514-022-00120-0}
}