{"_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"}, "item_10_biblio_info_6": {"attribute_name": "\u66f8\u8a8c\u60c5\u5831", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2010-08", "bibliographicIssueDateType": "Issued"}, "bibliographicPageEnd": "105", "bibliographicPageStart": "89", "bibliographicVolumeNumber": "4", "bibliographic_titles": [{"bibliographic_title": "Physics Procedia"}]}]}, "item_10_description_4": {"attribute_name": "\u6284\u9332", "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 \u03bb. 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 \u03bb 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 \u03bb 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_type": "Abstract"}]}, "item_10_publisher_32": {"attribute_name": "\u51fa\u7248\u8005", "attribute_value_mlt": [{"subitem_publisher": "Elsevier"}]}, "item_10_relation_11": {"attribute_name": "DOI", "attribute_value_mlt": [{"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": "\u6a29\u5229", "attribute_value_mlt": [{"subitem_rights": " (c) 2010 Published by Elsevier B.V. Open access under CC BY-NC-ND license."}]}, "item_10_select_15": {"attribute_name": "\u8457\u8005\u7248\u30d5\u30e9\u30b0", "attribute_value_mlt": [{"subitem_select_item": "publisher"}]}, "item_10_source_id_61": {"attribute_name": "ISSN\uff08print\uff09", "attribute_value_mlt": [{"subitem_source_identifier": "1875-3892", "subitem_source_identifier_type": "ISSN"}]}, "item_creator": {"attribute_name": "\u8457\u8005", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Mitsutake, Ayori"}], "nameIdentifiers": [{"nameIdentifier": "88325", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Mori, Yoshiharu"}], "nameIdentifiers": [{"nameIdentifier": "88326", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Okamoto, Yuko"}], "nameIdentifiers": [{"nameIdentifier": "88327", "nameIdentifierScheme": "WEKO"}]}]}, "item_files": {"attribute_name": "\u30d5\u30a1\u30a4\u30eb\u60c5\u5831", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2018-12-26"}], "displaytype": "detail", "download_preview_message": "", "file_order": 0, "filename": "S187538921000297X-main.pdf", "filesize": [{"value": "1.1 MB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_free", "mimetype": "application/pdf", "size": 1100000.0, "url": {"label": "S187538921000297X-main", "url": "https://nagoya.repo.nii.ac.jp/record/26960/files/S187538921000297X-main.pdf"}, "version_id": "720dfe40-e38e-413a-9edc-44afc2c4d702"}]}, "item_keyword": {"attribute_name": "\u30ad\u30fc\u30ef\u30fc\u30c9", "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": "\u8a00\u8a9e", "attribute_value_mlt": [{"subitem_language": "eng"}]}, "item_resource_type": {"attribute_name": "\u8cc7\u6e90\u30bf\u30a4\u30d7", "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": "\u30bf\u30a4\u30c8\u30eb", "attribute_value_mlt": [{"subitem_title": "Multi-dimensional multicanonical algorithm, simulated tempering, replica-exchange method, and all that"}]}, "item_type_id": "10", "owner": "1", "path": ["336/695/696"], "permalink_uri": "http://hdl.handle.net/2237/00029163", "pubdate": {"attribute_name": "\u516c\u958b\u65e5", "attribute_value": "2018-12-26"}, "publish_date": "2018-12-26", "publish_status": "0", "recid": "26960", "relation": {}, "relation_version_is_last": true, "title": ["Multi-dimensional multicanonical algorithm, simulated tempering, replica-exchange method, and all that"], "weko_shared_id": null}