Extending the limit of LR-TDDFT on two different approaches: Numerical algorithms and new Sunway heterogeneous supercomputer

JiangQingcaiCaoZhenweiCaoHuanqiQinXinming

高性能计算与并行算法方向论文：Extending the limit of LR-TDDFT on two different approaches: Numerical a

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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。

Evidence note

hina (2016YFA0-200604, 2021YFB0300600), and the CAS Project for Young Scientists in Basic Research (YSBR-005). Computing resources of this work are partly financially supported by Laoshan Laboratory (LSKJ202300305). References [1] Q. Jiang, J. Li, J. Chen, X. Qin, L. Wan, J. Yang, J. Liu, W. Hu, H. An, Acceler- ating parallel first-principles excited-state calculation by low-rank approximation with K-means clusteri || hina (2016YFA0-200604, 2021YFB0300600), and the CAS Project for Young Scientists in Basic Research (YSBR-005). Computing resources of this work are partly financially supported by Laoshan Laboratory (LSKJ202300305). References [1] Q. Jiang, J. Li, J. Chen, X. Qin, L. Wan, J. Yang, J. Liu, W. Hu, H. An, Acceler- ating parallel first-principles excited-state calculation by low-rank approximation with K-mea || 4, 2021YFB0300600), and the CAS Project for Young Scientists in Basic Research (YSBR-005). Computing resources of this work are partly financially supported by Laoshan Laboratory (LSKJ202300305). References [1] Q. Jiang, J. Li, J. Chen, X. Qin, L. Wan, J. Yang, J. Liu, W. Hu, H. An, Acceler- ating parallel first-principles excited-state calculation by low-rank approximation with K-means clustering, in: Proceed || 4, 2021YFB0300600), and the CAS Project for Young Scientists in Basic Research (YSBR-005). Computing resources of this work are partly financially supported by Laoshan Laboratory (LSKJ202300305). References [1] Q. Jiang, J. Li, J. Chen, X. Qin, L. Wan, J. Yang, J. Liu, W. Hu, H. An, Acceler- ating parallel first-principles excited-state calculation by low-rank approximation with K-means clustering, in

Metadata

完整论文信息Full record

title: Extending the limit of LR-TDDFT on two different approaches: Numerical algorithms and new Sunway heterogeneous supercomputer
title_zh: 待补充
abstract: 待补充
abstract_zh: 待补充
keywords: HPC, DFT, 学位认定 B, CCF B
year: 2024
published_date: 待补充
online_date: 待补充
paper_type: Journal
publication_status: Published
volume: 120
issue: 待补充
pages: 待补充
article_number: 待补充
publisher: 待补充
doi: 10.1016/j.parco.2024.103085
research_area: 高性能计算与并行算法
tags: HPC, DFT, 学位认定 B, CCF B
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: Jiang, Qingcai, Cao, Zhenwei, Cao, Huanqi, Qin, Xinming
corresponding_authors: 待补充
affiliations: 待补充
funding: 崂山实验室项目

Research area

高性能计算与并行算法

Citation

Jiang, Qingcai; Cao, Zhenwei; Cao, Huanqi; Qin, Xinming; An, Hong; Chen, Junshi; Hu, Wei; Yang, Jinlong, Extending the Limit of LR-TDDFT on Two Different Approaches: Numerical Algorithms and New Sunway Heterogeneous Supercomputer, Parallel Computing, Volume 120, p. 103085， June 2024（CCF B）

BibTeX

@article{acsa2024_32,
  title = {Extending the limit of LR-TDDFT on two different approaches: Numerical algorithms and new Sunway heterogeneous supercomputer},
  year = {2024},
  doi = {10.1016/j.parco.2024.103085}
}