{"created":"2023-07-27T06:52:17.997965+00:00","id":46124,"links":{},"metadata":{"_buckets":{"deposit":"edfd1fdd-f367-438f-9249-fcf61892fadd"},"_deposit":{"created_by":18,"id":"46124","owners":[18],"pid":{"revision_id":0,"type":"depid","value":"46124"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00046124","sets":["2812:2813:2819"]},"author_link":["1703","79975"],"item_9_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2015-06-10","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"6p.","bibliographicVolumeNumber":"2011-04-28 - 2015-03-31","bibliographic_titles":[{"bibliographic_title":"平成26(2014)年度 科学研究費補助金 基盤研究(C) 研究成果報告書"},{"bibliographic_title":"2014 Fiscal Year Final Research Report","bibliographic_titleLang":"en"}]}]},"item_9_creator_33":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{}],"nameIdentifiers":[{},{}]}]},"item_9_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"水分子系を念頭におき、水素結合分子集団の量子状態の計算を厳密に実行するシミュレーション手法の開発を行った。このシミュレーション手法は変分経路積分法にその基礎をおき、本研究では運動方程式を用いて計算を実行する分子動力学法およびハイブリットモンテカルロ法の開発を行った。またシミュレーションパラメータの探索に有用と考えられる、調和振動子系に対する解析解の導出もあわせて行った。本手法は、水素分子クラスターおよび水１分子の系に対して適用され、その有効性が明らかになった。このことにより本シミュレーション手法は水素結合分子集団に対する大いに有望な量子シミュレーション手法であることが示された。","subitem_description_type":"Abstract"},{"subitem_description":"A novel quantum simulation method for hydrogen bonded molecular systems has been developed. This method is based on the variational path integral method. In the present study, molecular dynamics and hybrid Monte Carlo methods have been developed for sampling on the variational path integrals. Also, analytical expressions for various quantities associated with the variational path integrals have analytically been obtained for harmonic oscillators. Our novel simulation methods have successfully been applied to hydrogen molecule clusters and a water molecule. It is demonstrated that our method is a promising quantum simulation method for hydrogen bonded molecular systems.","subitem_description_type":"Abstract"}]},"item_9_description_22":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"研究課題/領域番号:23550011, 研究期間(年度):2011-04-28 - 2015-03-31","subitem_description_type":"Other"},{"subitem_description":"出典：「水素結合分子集団の量子振動状態に関する新規高精度シミュレーション手法の開発」研究成果報告書　課題番号23550011\n（KAKEN：科学研究費助成事業データベース（国立情報学研究所）） \n（https://kaken.nii.ac.jp/report/KAKENHI-PROJECT-23550011/23550011seika/)を加工して作成","subitem_description_type":"Other"}]},"item_9_description_5":{"attribute_name":"提供者所属","attribute_value_mlt":[{"subitem_description":"金沢大学理工研究域数物科学系","subitem_description_type":"Other"}]},"item_9_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00052458","subitem_identifier_reg_type":"JaLC"}]},"item_9_relation_28":{"attribute_name":"関連URI","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/search/?qm=10282865"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/search/?qm=10282865","subitem_relation_type_select":"URI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23550011/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23550011/","subitem_relation_type_select":"URI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/report/KAKENHI-PROJECT-23550011/23550011seika/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/report/KAKENHI-PROJECT-23550011/23550011seika/","subitem_relation_type_select":"URI"}}]},"item_9_version_type_25":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2018-10-15"}],"displaytype":"detail","filename":"SC-PR-MIURA-S-kaken 2015-6p.pdf","filesize":[{"value":"181.9 kB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"SC-PR-MIURA-S-kaken 2015-6p.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/46124/files/SC-PR-MIURA-S-kaken 2015-6p.pdf"},"version_id":"fb53e270-bc87-4a2e-a819-23b1926cc308"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"research report","resourceuri":"http://purl.org/coar/resource_type/c_18ws"}]},"item_title":"水素結合分子集団の量子振動状態に関する新規高精度シミュレーション手法の開発","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"水素結合分子集団の量子振動状態に関する新規高精度シミュレーション手法の開発"},{"subitem_title":"Development of a novel quantum simulation method on vibrational quantum states of hydrogen bonded molecular systems","subitem_title_language":"en"}]},"item_type_id":"9","owner":"18","path":["2819"],"pubdate":{"attribute_name":"公開日","attribute_value":"2018-10-15"},"publish_date":"2018-10-15","publish_status":"0","recid":"46124","relation_version_is_last":true,"title":["水素結合分子集団の量子振動状態に関する新規高精度シミュレーション手法の開発"],"weko_creator_id":"18","weko_shared_id":-1},"updated":"2023-07-27T09:35:48.729110+00:00"}