Implementation of Parallel Matrix Diagonalization for Ab-Initio Molecular Dynamics Program using ScaLAPACK

• Material Type: 文書・図像類
• Title: Implementation of Parallel Matrix Diagonalization for Ab-Initio Molecular Dynamics Program using ScaLAPACK
• Author/Editor: 小田, 竜樹; Gunawan, Indra; Obata, Masao; Nakamura, Makoto; Martoprawird, Muhamad A.; Oda, Tatsuki
• Author Heading: 小田, 竜樹; https://kaken.nii.ac.jp/ja/search/?qm=30272941; Gunawan, Indra; Obata, Masao; Nakamura, Makoto; Martoprawird, Muhamad A.; Oda, Tatsuki
• Publication, Distribution, etc.: Kanazawa e-Publishing
• Publication Date: 2013-02-01
• Publication Date (W3CDTF): 2013-02-01
• Periodical title: Recent development in computational science : Selected Papers from the International Symposium on Computational Science - International Symposium on Computational Science Kanazawa University, Japan
• No. or year of volume/issue: 4
• Volume: 4
• Pages: 39-43
• ISSN (Periodical Title): ISSN : 2223-0785
• Text Language Code: eng
• Target Audience: 一般
• DOI: 10.24517/00011970
• Access Restrictions: 限定公開
• Rights (production): Organizing Committee of ISCS 2013
• Data Provider (Database): 国立情報学研究所 : 学術機関リポジトリデータベース（IRDB）（機関リポジトリ）; https://irdb.nii.ac.jp
• Original Data Provider (Database): 金沢大学 : 金沢大学学術情報リポジトリKURA

• Summary, etc.: A matrix diagonalization is one of the most time-consuming parts of the ab-initio molecular dynamics programs. The bigger system to be simulated, the ...