{"created":"2021-03-01T06:34:55.593686+00:00","id":26960,"links":{},"metadata":{"_buckets":{"deposit":"fb2cd1c5-b440-4bdc-a3b4-73b371076f05"},"_deposit":{"id":"26960","owners":[],"pid":{"revision_id":0,"type":"depid","value":"26960"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00026960","sets":["336:695:696"]},"author_link":["88325","88326","88327"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2010-08","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"105","bibliographicPageStart":"89","bibliographicVolumeNumber":"4","bibliographic_titles":[{"bibliographic_title":"Physics Procedia","bibliographic_titleLang":"en"}]}]},"item_10_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We discuss multi-dimensional generalizations of multicanonical algorithm, simulated tempering, and replica-exchange method. We generalize the original potential energy function E0 by adding any physical quantity V of interest as a new energy term with a coupling constant λ. We then perform a multi-dimensional multicanonical simulation where a random walk in E0 and V space is realized. We can alternately perform a multi-dimensional simulated-tempering simulation where a random walk in temperature T and parameter λ is realized. The results of the multi-dimensional replica-exchange simulations can be used to determine the weight factors for these multi-dimensional multicanonical and simulated tempering simulations. Two examples of the above methods are presented for biomoleculr systems where the parameter λ corresponds to the solvation parameter and the pressure. In the former, a random walk in the conformational energy and solvation free energy is performed, and in the latter, a random walk in the potential energy and volume is realized.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier","subitem_publisher_language":"en"}]},"item_10_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1016/j.phpro.2010.08.012","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":" (c) 2010 Published by Elsevier B.V. Open access under CC BY-NC-ND license.","subitem_rights_language":"en"}]},"item_10_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"publisher"}]},"item_10_source_id_61":{"attribute_name":"ISSN（print）","attribute_value_mlt":[{"subitem_source_identifier":"1875-3892","subitem_source_identifier_type":"PISSN"}]},"item_1615787544753":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Mitsutake, Ayori","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88325","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Mori, Yoshiharu","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88326","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Okamoto, Yuko","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88327","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2018-12-26"}],"displaytype":"detail","filename":"S187538921000297X-main.pdf","filesize":[{"value":"1.1 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"S187538921000297X-main","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/26960/files/S187538921000297X-main.pdf"},"version_id":"720dfe40-e38e-413a-9edc-44afc2c4d702"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Generalized-ensemble algorithms","subitem_subject_scheme":"Other"},{"subitem_subject":"Multicanonical algorithm","subitem_subject_scheme":"Other"},{"subitem_subject":"Simulated tempering","subitem_subject_scheme":"Other"},{"subitem_subject":"Replica-exchange method","subitem_subject_scheme":"Other"},{"subitem_subject":"Parallel tempering","subitem_subject_scheme":"Other"},{"subitem_subject":"Mont Carlo","subitem_subject_scheme":"Other"},{"subitem_subject":"Molecular dynamics","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Multi-dimensional multicanonical algorithm, simulated tempering, replica-exchange method, and all that","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Multi-dimensional multicanonical algorithm, simulated tempering, replica-exchange method, and all that","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["696"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2018-12-26"},"publish_date":"2018-12-26","publish_status":"0","recid":"26960","relation_version_is_last":true,"title":["Multi-dimensional multicanonical algorithm, simulated tempering, replica-exchange method, and all that"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:17:39.030041+00:00"}