{"id":24,"date":"2024-08-23T11:24:39","date_gmt":"2024-08-23T02:24:39","guid":{"rendered":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/?page_id=24"},"modified":"2026-04-02T20:35:40","modified_gmt":"2026-04-02T11:35:40","slug":"publications","status":"publish","type":"page","link":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"

\u8ad6\u6587 | Peer Reviewed Paper<\/h2>\n

FY 2026<\/h3>\n
\u3000\u26ab\ufe0e<\/span> Electronic-Structure Informatics Guided Identification of Actinide\/Lanthanide Selectivity Factors<\/strong><\/div>\n

Tsuyoshi Sumiyoshi, Nahoko Kuroki, Hirotoshi Mori*
\nInorg. Chem.<\/em> XX<\/strong>, XX, XXXX\u2013XXXX (2026.M.D).
\nDOI: 10.1021\/acs.inorgchem.5c05680<\/a><\/p>\n

FY 2025<\/h3>\n
\u3000\u26ab\ufe0e<\/span> Ligand-Induced Electronic Response Enables Predictive QM\/MM Simulations<\/strong><\/div>\n

Nichika Ozawa, Nahoko Kuroki, Hirotoshi Mori*
\nAdv. Sci.<\/em> 13<\/strong>, 17, e19137:1\u20138 (2026.3.23).
\nDOI: 10.1002\/advs.202519137<\/a><\/p>\n

\u3000\u26ab\ufe0e<\/span> \u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u7406\u8ad6\u306b\u57fa\u3065\u304f\u6eb6\u6db2\u5185\u5206\u5b50\u9593\u76f8\u4e92\u4f5c\u7528\u306e\u7b2c\u4e00\u539f\u7406\u7684\u8a55\u4fa1<\/strong> [\u7dcf\u8aac]<\/span><\/div>\n

\u9ed2\u6728 \u83dc\u4fdd\u5b50*
\nBUNSEKI KAGAKU<\/em> 74<\/strong>, 9, 513\u2013522 (2025.9.5).
\nDOI: 10.2116\/bunsekikagaku.74.513<\/a><\/p>\n

FY 2024<\/h3>\n
\u3000\u26ab\ufe0e<\/span> \u30b8\u30e1\u30c1\u30eb\u30b9\u30eb\u30db\u30ad\u30b7\u30c9\u306e\u6c34\u548c\u69cb\u9020\u8a55\u4fa1: \u6709\u52b9\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb-\u5206\u5b50\u52d5\u529b\u5b66\u8a08\u7b97<\/strong><\/div>\n

\u77f3\u90f7\u5ca1 \u77e5\u91cc, \u9ed2\u6728 \u83dc\u4fdd\u5b50*
\nJ. Comput. Chem. Jpn.<\/em> 24<\/strong>, 1, 1\u20134 (2025.3.14).
\nDOI: 10.2477\/jccj.2024-0042<\/a><\/p>\n

\u3000\u26ab\ufe0e<\/span> Realizing Ultrafine Color Tuning of Organic Electronics Materials by Electronic State Informatics<\/strong><\/div>\n

Daisuke Goto, Yusuke Kanebako, Kengo Takashima, Nahoko Kuroki, Hirotoshi Mori*
\nJ. Phys. Chem. Lett.<\/em> 16<\/strong>, 9, 2419\u20132424 (2025.3.6).
\nDOI: 10.1021\/acs.jpclett.4c03519<\/a><\/p>\n

\u3000\u26ab\ufe0e<\/span> \u30cf\u30a4\u30d1\u30fc\u30b4\u30ea\u30c3\u30af\u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u53cd\u5fdc\u7d4c\u8def\u306b\u5bfe\u3059\u308b\u30a2\u30cb\u30aa\u30f3\u96fb\u5b50\u72b6\u614b\u306e\u5f71\u97ff<\/strong><\/div>\n

\u91ce\u4e0a\u7530 \u5149\u7e54, \u9ed2\u6728 \u83dc\u4fdd\u5b50, \u68ee \u5bdb\u654f*
\nJ. Combust. Soc. Jpn.<\/em> 66<\/strong>, 217, 199\u2013202 (2024.8.15).
\nDOI: 10.20619\/jcombsj.2402<\/a><\/p>\n

 <\/p>\n

\u8457\u66f8 | Book<\/h2>\n
\u3000\u26ab\ufe0e<\/span> \u30de\u30c6\u30ea\u30a2\u30eb\u30ba\u30fb\u30a4\u30f3\u30d5\u30a9\u30de\u30c6\u30a3\u30af\u30b9Q&A\u96c6 \u2013\u89e3\u6790\u5b9f\u52d9\u3068\u5fdc\u7528\u4e8b\u4f8b\u2013<\/strong><\/div>\n

\u9ed2\u6728 \u83dc\u4fdd\u5b50, \u5206\u62c5\u57f7\u7b46, \u60c5\u5831\u6a5f\u69cb<\/em> (2020.12.18).
\n\u7b2c5\u7ae0 \u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u7b49\u4ed6\u624b\u6cd5\u3068\u306e\u878d\u5408 (\u554f9 \u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u3068\u306f?, \u554f10 \u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u3092\u5229\u7528\u3057\u305f\u96fb\u5b50\u72b6\u614b\u30a4\u30f3\u30d5\u30a9\u30de\u30c6\u30a3\u30af\u30b9\u3068\u306f?)
\nhttps:\/\/johokiko.co.jp\/publishing\/BC201201.php<\/a><\/p>\n

 <\/p>\n

\u305d\u306e\u4ed6 | Misc.<\/h2>\n
\u3000\u26ab\ufe0e<\/span> \u91cf\u5b50\u5316\u5b66\u30fb\u7d71\u8a08\u529b\u5b66\u3068\u30a4\u30f3\u30d5\u30a9\u30de\u30c6\u30a3\u30af\u30b9\u306b\u3088\u308bCO2<\/sub>\u7269\u7406\u5438\u53ce\u6027\u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u958b\u767a<\/strong><\/div>\n

\u9ed2\u6728 \u83dc\u4fdd\u5b50, \u65e5\u672c\u5316\u5b66\u4f1a\u60c5\u5831\u5316\u5b66\u90e8\u4f1a\u8a8c CICSJ Bulletin<\/em> 43<\/strong>, 1, 15\u201318 (2025.12.26).
\nDOI: 10.11546\/cicsj.43.15<\/a><\/p>\n

\u3000\u26ab\ufe0e<\/span> 5\u5206\u3067\u5206\u304b\u308b!? \u6709\u540d\u8ad6\u6587\u30ca\u30ca\u30e1\u8aad\u307f:\u00a0<\/strong><\/div>\n
Pavlo O. Dral: Quantum Chemistry in the Age of Machine Learning<\/strong><\/div>\n

\u9ed2\u6728 \u83dc\u4fdd\u5b50, \u60c5\u5831\u51e6\u7406\u5b66\u4f1a\u8a8c \u60c5\u5831\u51e6\u7406<\/em> 65<\/strong>, 10, 532\u2013533 (2024.9.15).
\nhttps:\/\/ipsj.ixsq.nii.ac.jp\/records\/239403<\/a><\/p>\n

\u3000\u26ab\ufe0e<\/span> \u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u7406\u8ad6\u306b\u57fa\u3065\u304f\u8a08\u7b97\u5316\u5b66\u30fb\u6a5f\u68b0\u5b66\u7fd2\u306b\u3088\u308b\u6a5f\u80fd\u6027\u6db2\u4f53\u306e\u7814\u7a76<\/strong><\/div>\n

\u9ed2\u6728 \u83dc\u4fdd\u5b50, \u7406\u8ad6\u5316\u5b66\u4f1a\u8a8c \u30d5\u30ed\u30f3\u30c6\u30a3\u30a2<\/em> 5<\/strong>, 1, 35\u201341 (2023.1.31).
\nhttps:\/\/www.jstc.org\/frontier17<\/a><\/p>\n

\u3000\u26ab\ufe0e<\/span> \u96fb\u5b50\u72b6\u614b\u30a4\u30f3\u30d5\u30a9\u30de\u30c6\u30a3\u30af\u30b9<\/strong><\/div>\n

\u9ed2\u6728 \u83dc\u4fdd\u5b50, \u5206\u62c5\u57f7\u7b46, Yano E plus<\/em> 166<\/strong> (2022.1.15).
\n4-5. \u5b66\u6821\u6cd5\u4eba \u4e2d\u592e\u5927\u5b66 (1)\u68ee\u7814\u7a76\u5ba4\u306e\u57fa\u672c\u7684\u30b3\u30f3\u30bb\u30d7\u30c8, (2)CO2<\/sub>\u3092\u5206\u96e2\u56de\u53ce\u53ef\u80fd\u306a\u30a4\u30aa\u30f3\u6db2\u4f53(IL)\u63a2\u7d22\u306e\u305f\u3081\u306e\u7406\u8ad6\u7814\u7a76
\nhttps:\/\/www.yano.co.jp\/eplus\/D63100801<\/a><\/p>\n

\u3000\u26ab\ufe0e<\/span> \u6709\u52b9\u65ad\u7247\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u5206\u5b50\u52d5\u529b\u5b66\u6cd5\u306b\u3088\u308b\u6a5f\u80fd\u6027\u6eb6\u6db2\u306e\u7269\u6027\u4e88\u6e2c<\/strong><\/div>\n

\u68ee \u5bdb\u654f, \u9ed2\u6728 \u83dc\u4fdd\u5b50, \u5316\u5b66\u3068\u5de5\u696d<\/em> 73<\/strong>, 4, 342 (2020.4).
\nhttps:\/\/www.chemistry.or.jp\/journal\/014dcaa6cd0135b72e159f23d4cb4d4530a814a1.pdf<\/a>
\n\u65e5\u672c\u5316\u5b66\u4f1a \u30c7\u30a3\u30d3\u30b8\u30e7\u30f3\u30fb\u30c8\u30d4\u30c3\u30af\u30b9(\u7406\u8ad6\u5316\u5b66\u30fb\u60c5\u5831\u5316\u5b66\u30fb\u8a08\u7b97\u5316\u5b66)
\nhttps:\/\/www.chemistry.or.jp\/division-topics\/2020\/03\/post-156.html<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

\u8ad6\u6587 | Peer Reviewed Paper FY 2026 \u3000\u26ab\ufe0e Electronic-Structure Informatics Guided Identification of Actinide\/Lantha … \u7d9a\u304d\u3092\u8aad\u3080 →<\/span><\/a><\/p>\n","protected":false},"author":43,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-24","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/pages\/24","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/users\/43"}],"replies":[{"embeddable":true,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/comments?post=24"}],"version-history":[{"count":57,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/pages\/24\/revisions"}],"predecessor-version":[{"id":819,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/pages\/24\/revisions\/819"}],"wp:attachment":[{"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/media?parent=24"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}