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

分类与摘要

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。

证据摘录：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

引用

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）

@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}
}