{"metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00080226","sets":["6164:6165:6242:6667"]},"path":["6667"],"owner":"11","recid":"80226","title":["分子動力学計算の時間方向並列化と通信パターン"],"pubdate":{"attribute_name":"公開日","attribute_value":"2012-01-17"},"_buckets":{"deposit":"a1301a58-93e9-486b-bb34-4bbf702b3fed"},"_deposit":{"id":"80226","pid":{"type":"depid","value":"80226","revision_id":0},"owners":[11],"status":"published","created_by":11},"item_title":"分子動力学計算の時間方向並列化と通信パターン","author_link":["0"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"分子動力学計算の時間方向並列化と通信パターン"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"ポスターセッション：計算科学・数値計算","subitem_subject_scheme":"Other"}]},"item_type_id":"18","publish_date":"2012-01-17","item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_18_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"九大院シス情"},{"subitem_text_value":"九大情基セ"},{"subitem_text_value":"有明高専"},{"subitem_text_value":"九大情基セ"}]},"item_publisher":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"情報処理学会","subitem_publisher_language":"ja"}]},"publish_status":"0","weko_shared_id":-1,"item_file_price":{"attribute_name":"Billing file","attribute_type":"file","attribute_value_mlt":[{"url":{"url":"https://ipsj.ixsq.nii.ac.jp/record/80226/files/IPSJ-HPCS2012018.pdf"},"date":[{"dateType":"Available","dateValue":"2014-01-17"}],"format":"application/pdf","billing":["billing_file"],"filename":"IPSJ-HPCS2012018.pdf","filesize":[{"value":"914.2 kB"}],"mimetype":"application/pdf","priceinfo":[{"tax":["include_tax"],"price":"330","billingrole":"5"},{"tax":["include_tax"],"price":"330","billingrole":"6"},{"tax":["include_tax"],"price":"330","billingrole":"14"},{"tax":["include_tax"],"price":"0","billingrole":"44"}],"accessrole":"open_date","version_id":"3fb68f5a-4b67-43c3-ab58-9673f689432d","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2012 by the Information Processing Society of Japan"}]},"item_18_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"大隈強志"},{"creatorName":"高見利也"},{"creatorName":"松野哲也"},{"creatorName":"青柳睦"}],"nameIdentifiers":[{}]}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_5794","resourcetype":"conference paper"}]},"item_18_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"一般に分子動力学などで扱われる多粒子系の運動には、多階層の時間・空間ダイナミクスを含み、必然的に時空間マルチスケール構造を考慮した数値計算が必要となる。例えば、タンパク質の運動では、主鎖のゆっくりとした集団運動 [1] を駆動するリガンドの相互作用が、さらに速い時間スケールの水分子の運動により媒介されている。タンパク質の機能を研究するための分子動力学計算といえども、電荷や双極子モーメントの間の長距離相互作用による運動だけではなく、水分子の振動回転運動という空間に局所的かつ速いダイナミクスまで含めて数値計算を行わなければ高精度な結果が得られない。著者らは、時間方向並列化手法として知られている Parareal-in-Time 法 [2] の計算科学分野での適用可能性 [3,4] を研究しており、本ポスター発表では、このような時空間マルチスケール系に対して時間方向並列化手法を適用し、超並列計算機での大規模計算を想定して、ノード間の通信パターンを中心に解析を行う。","subitem_description_type":"Other"}]},"item_18_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"55","bibliographic_titles":[{"bibliographic_title":"ハイパフォーマンスコンピューティングと計算科学シンポジウム論文集"}],"bibliographicPageStart":"55","bibliographicIssueDates":{"bibliographicIssueDate":"2012-01-17","bibliographicIssueDateType":"Issued"},"bibliographicVolumeNumber":"2012"}]},"relation_version_is_last":true,"weko_creator_id":"11"},"id":80226,"updated":"2025-01-21T19:53:37.430112+00:00","links":{},"created":"2025-01-18T23:34:44.756635+00:00"}