{"id":72749,"date":"2017-10-30T21:58:10","date_gmt":"2017-10-30T21:58:10","guid":{"rendered":"https:\/\/sossogroup.uk\/?post_type=portfolio&#038;p=72749"},"modified":"2018-05-15T22:00:51","modified_gmt":"2018-05-15T22:00:51","slug":"truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces","status":"publish","type":"portfolio","link":"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/","title":{"rendered":"Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces"},"content":{"rendered":"<div class=\"wpb-content-wrapper\"><p>[vc_row][vc_column width=&#8221;1\/1&#8243;][vc_column_text]<\/p>\n<h3 class=\"tp_pub_author\"><span class=\"tp_pub_additional_journal\"><strong>The Journal of Chemical Physics<\/strong><\/span><\/h3>\n<p class=\"tp_pub_author\"><i>147, 121102 (2017)<\/i><\/p>\n<p class=\"tp_pub_author\"><a href=\"https:\/\/aip.scitation.org\/doi\/10.1063\/1.4997698\" target=\"_blank\" rel=\"noopener\">DOI: 10.1063\/1.4997698<\/a><\/p>\n<p align=\"justify\">This work is about the dreadful things that happen to those (well, basically everyone\u2026) who dare truncating non-bonded terms when performing molecular dynamics simulations of interfaces. It has recently been accepted in The Journal of Physical Chemistry, and involves quite a number of people across several institutions: (chiefly) the University College London [UK], the University of Lyon [France] and Tsinghua University [China]&#8230;<\/p>\n<p>[\/vc_column_text][\/vc_column][\/vc_row]<\/p>\n<\/div>","protected":false},"excerpt":{"rendered":"<h3 class=\"tp_pub_author\"><span class=\"tp_pub_additional_journal\"><strong>The Journal of Chemical Physics<\/strong><\/span><\/h3>\n<p class=\"tp_pub_author\"><i>147, 121102 (2017)<\/i><\/p>\n<p class=\"tp_pub_author\"><a href=\"https:\/\/aip.scitation.org\/doi\/10.1063\/1.4997698\" target=\"_blank\" rel=\"noopener\">DOI: 10.1063\/1.4997698<\/a><\/p>\n<p align=\"justify\">This work is about the dreadful things that happen to those (well, basically everyone\u2026) who dare truncating non-bonded terms when performing molecular dynamics simulations of interfaces. It has recently been accepted in The Journal of Physical Chemistry, and involves quite a number of people across several institutions: (chiefly) the University College London [UK], the University of Lyon [France] and Tsinghua University [China]&#8230;<\/p>\n","protected":false},"author":2,"featured_media":72467,"parent":0,"menu_order":0,"template":"","meta":{"_acf_changed":false},"portfolio_category":[],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v22.4 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces - Sosso Group<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces - Sosso Group\" \/>\n<meta property=\"og:description\" content=\"The Journal of Chemical Physics 147, 121102 (2017) DOI: 10.1063\/1.4997698 This work is about the dreadful things that happen to those (well, basically everyone\u2026) who dare truncating non-bonded terms when performing molecular dynamics simulations of interfaces. It has recently been accepted in The Journal of Physical Chemistry, and involves quite a number of people across several institutions: (chiefly) the University College London [UK], the University of Lyon [France] and Tsinghua University [China]...\" \/>\n<meta property=\"og:url\" content=\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/\" \/>\n<meta property=\"og:site_name\" content=\"Sosso Group\" \/>\n<meta property=\"article:modified_time\" content=\"2018-05-15T22:00:51+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/sossogroup.uk\/wp-content\/uploads\/2018\/01\/1.4997698.figures.online.f3.jpeg\" \/>\n\t<meta property=\"og:image:width\" content=\"1400\" \/>\n\t<meta property=\"og:image:height\" content=\"1341\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:site\" content=\"@sossogroup\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/\",\"url\":\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/\",\"name\":\"Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces - Sosso Group\",\"isPartOf\":{\"@id\":\"https:\/\/sossogroup.uk\/#website\"},\"primaryImageOfPage\":{\"@id\":\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/#primaryimage\"},\"image\":{\"@id\":\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/#primaryimage\"},\"thumbnailUrl\":\"https:\/\/sossogroup.uk\/wp-content\/uploads\/2018\/01\/1.4997698.figures.online.f3.jpeg\",\"datePublished\":\"2017-10-30T21:58:10+00:00\",\"dateModified\":\"2018-05-15T22:00:51+00:00\",\"breadcrumb\":{\"@id\":\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/\"]}]},{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/#primaryimage\",\"url\":\"https:\/\/sossogroup.uk\/wp-content\/uploads\/2018\/01\/1.4997698.figures.online.f3.jpeg\",\"contentUrl\":\"https:\/\/sossogroup.uk\/wp-content\/uploads\/2018\/01\/1.4997698.figures.online.f3.jpeg\",\"width\":1400,\"height\":1341},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\/\/sossogroup.uk\/portfolio\/truncated-non-bonded-potentials-can-yield-unphysical-behavior-in-molecular-dynamics-simulations-of-interfaces\/#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Home\",\"item\":\"https:\/\/sossogroup.uk\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Portfolio\",\"item\":\"https:\/\/sossogroup.uk\/portfolio\/\"},{\"@type\":\"ListItem\",\"position\":3,\"name\":\"Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\/\/sossogroup.uk\/#website\",\"url\":\"https:\/\/sossogroup.uk\/\",\"name\":\"Sosso Group\",\"description\":\"Molecular Simulations of Disordered Systems and Phase Transitions\",\"publisher\":{\"@id\":\"https:\/\/sossogroup.uk\/#\/schema\/person\/e586dca382ee4c8f83d900f37413cfff\"},\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/sossogroup.uk\/?s={search_term_string}\"},\"query-input\":\"required name=search_term_string\"}],\"inLanguage\":\"en-US\"},{\"@type\":[\"Person\",\"Organization\"],\"@id\":\"https:\/\/sossogroup.uk\/#\/schema\/person\/e586dca382ee4c8f83d900f37413cfff\",\"name\":\"Dr Gabriele C. 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