{"id":146,"date":"2019-12-10T17:30:13","date_gmt":"2019-12-10T08:30:13","guid":{"rendered":"http:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/?p=146"},"modified":"2026-03-30T09:28:40","modified_gmt":"2026-03-30T00:28:40","slug":"%e3%83%9a%e3%83%ad%e3%83%96%e3%82%b9%e3%82%ab%e3%82%a4%e3%83%88%e5%a4%aa%e9%99%bd%e9%9b%bb%e6%b1%a0%e3%81%ab%e3%81%8a%e3%81%91%e3%82%8b%e3%83%9d%e3%83%bc%e3%83%a9%e3%83%ad%e3%83%b3%e5%bd%a2%e6%88%90","status":"publish","type":"post","link":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/?p=146","title":{"rendered":"\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u592a\u967d\u96fb\u6c60\u306b\u304a\u3051\u308b\u30dd\u30fc\u30e9\u30ed\u30f3\u5f62\u6210\u306e\u8ad6\u6587\u304cPCCP 2019 HOT Article\u306b\u9078\u3070\u308c\u307e\u3057\u305f"},"content":{"rendered":"<p>\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u592a\u967d\u96fb\u6c60\u306b\u304a\u3051\u308b\u30dd\u30fc\u30e9\u30ed\u30f3\u5f62\u6210\u306eDC-DFTB-MD\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306e\u8ad6\u6587\u304c<a href=\"https:\/\/pubs.rsc.org\/en\/journals\/articlecollectionlanding?sercode=cp&amp;themeid=82edaade-4192-47df-9db1-8043135f9b70\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;PCCP 2019 HOT Article&#8221;<\/a><br \/>\ne\u306b\u9078\u3070\u308c\u307e\u3057\u305f\u3002<\/p>\n<p>&#8220;Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite&#8221;<\/p>\n<p>Hiroki Uratani, Chien-Pin Chou, and Hiromi Nakai, Phys. Chem. Chem. Phys., 2020,\u00a0<a href=\"https:\/\/doi.org\/10.1039\/C9CP04739E\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Advance Article&#8221;<\/a><br \/>\nThe article was first published on 27 Nov 2019<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u592a\u967d\u96fb\u6c60\u306b\u304a\u3051\u308b\u30dd\u30fc\u30e9\u30ed\u30f3\u5f62\u6210\u306eDC-DFTB-MD\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306e\u8ad6\u6587\u304c&#8220;PCCP 2019 HOT Article&#8221; e\u306b\u9078\u3070\u308c\u307e\u3057\u305f\u3002 &#8220;Quantum mech &hellip; <a href=\"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/?p=146\" class=\"more-link\"><span class=\"screen-reader-text\">&#8220;\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u592a\u967d\u96fb\u6c60\u306b\u304a\u3051\u308b\u30dd\u30fc\u30e9\u30ed\u30f3\u5f62\u6210\u306e\u8ad6\u6587\u304cPCCP 2019 HOT Article\u306b\u9078\u3070\u308c\u307e\u3057\u305f&#8221; \u306e<\/span>\u7d9a\u304d\u3092\u8aad\u3080<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_locale":"ja","_original_post":"http:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/?p=146","footnotes":""},"categories":[1],"tags":[],"class_list":["post-146","post","type-post","status-publish","format-standard","hentry","category-uncategorized","ja"],"jetpack_featured_media_url":"","_links":{"self":[{"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=\/wp\/v2\/posts\/146","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=146"}],"version-history":[{"count":1,"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=\/wp\/v2\/posts\/146\/revisions"}],"predecessor-version":[{"id":147,"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=\/wp\/v2\/posts\/146\/revisions\/147"}],"wp:attachment":[{"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=146"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=146"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.chem.waseda.ac.jp\/dcdftbmd\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=146"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}