{"id":384,"date":"2021-06-16T11:37:00","date_gmt":"2021-06-16T09:37:00","guid":{"rendered":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/?p=384"},"modified":"2021-06-23T16:39:43","modified_gmt":"2021-06-23T14:39:43","slug":"dockonsurf","status":"publish","type":"post","link":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/2021\/06\/dockonsurf\/","title":{"rendered":"DockOnSurf"},"content":{"rendered":"<p>We are very proud to announce that our paper describing the DockOnSurf package is now published in <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jcim.1c00256\"><span class=\"issue-item_jour-name\"><i>Journal of Chemical Information and Modeling.<\/i><\/span><\/a><\/p>\n<p>The code is available on <a href=\"https:\/\/gitlab.com\/lch_interfaces\/dockonsurf\">gitlab!<\/a>\u00a0And you can find its documentation on <a href=\"https:\/\/dockonsurf.readthedocs.io\/en\/latest\/index.html\">readthedocs<\/a>.<\/p>\n<p>If you have molecules to adsorb on a surface, this package is for you! &#8211; At least if you are using VASP or CP2K.<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-385\" src=\"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2021\/06\/TOC_DockOnSurf-300x117.png\" alt=\"\" width=\"300\" height=\"117\" srcset=\"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2021\/06\/TOC_DockOnSurf-300x117.png 300w, https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2021\/06\/TOC_DockOnSurf-768x298.png 768w, https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2021\/06\/TOC_DockOnSurf.png 955w\" sizes=\"auto, (max-width: 300px) 100vw, 300px\" \/><\/p>","protected":false},"excerpt":{"rendered":"<p>We are very proud to announce that our paper describing the DockOnSurf package is now published in Journal of Chemical Information and Modeling. The code is available on gitlab!\u00a0And you can find its documentation on readthedocs. If you have molecules to adsorb on a surface, this package is for you! &#8211; At least if you [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_lmt_disableupdate":"","_lmt_disable":"","footnotes":""},"categories":[4],"tags":[],"class_list":["post-384","post","type-post","status-publish","format-standard","hentry","category-publications"],"modified_by":null,"_links":{"self":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/384","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/comments?post=384"}],"version-history":[{"count":2,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/384\/revisions"}],"predecessor-version":[{"id":387,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/384\/revisions\/387"}],"wp:attachment":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/media?parent=384"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/categories?post=384"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/tags?post=384"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}