{"id":2793,"date":"2025-06-03T16:25:11","date_gmt":"2025-06-03T16:25:11","guid":{"rendered":"https:\/\/www.lmp.uni-saarland.de\/?p=2793"},"modified":"2025-06-03T16:25:11","modified_gmt":"2025-06-03T16:25:11","slug":"efficient-electrostatic-in-qe","status":"publish","type":"post","link":"https:\/\/www.lmp.uni-saarland.de\/index.php\/2025\/06\/03\/efficient-electrostatic-in-qe\/","title":{"rendered":"Efficient electrostatic in QE"},"content":{"rendered":"\n<p>Kamila Savvidi, Ludwig Ahrens-Iwers, Lucio Colombi Ciacchi, Dirk Zahn, Martin H. M\u00fcser, Robert Horst Mei\u00dfner<\/p>\n\n\n\n<p><strong>Efficient treatment of long-range electrostatics in charge equilibration approaches<\/strong><\/p>\n\n\n\n<p>J. Chem. Phys. 162, 174108 (2025)<\/p>\n\n\n\n<p>DOI: <a href=\"https:\/\/doi.org\/10.1063\/5.0255823\">10.1063\/5.0255823<\/a><\/p>\n\n\n\n<p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Kamila Savvidi, Ludwig Ahrens-Iwers, Lucio Colombi Ciacchi, Dirk Zahn, Martin H. M\u00fcser, Robert Horst Mei\u00dfner Efficient treatment of long-range electrostatics in charge equilibration approaches J. Chem. Phys. 162, 174108 (2025) DOI: 10.1063\/5.0255823<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[7],"tags":[11,9],"class_list":["post-2793","post","type-post","status-publish","format-standard","hentry","category-publications","tag-forcefielddevelopment","tag-simulationmethods"],"_links":{"self":[{"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/posts\/2793","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/comments?post=2793"}],"version-history":[{"count":6,"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/posts\/2793\/revisions"}],"predecessor-version":[{"id":2807,"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/posts\/2793\/revisions\/2807"}],"wp:attachment":[{"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/media?parent=2793"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/categories?post=2793"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.lmp.uni-saarland.de\/index.php\/wp-json\/wp\/v2\/tags?post=2793"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}