{"id":72481,"date":"2018-03-14T20:47:32","date_gmt":"2018-03-14T20:47:32","guid":{"rendered":"https:\/\/sossogroup.uk\/?p=72481"},"modified":"2018-04-22T20:48:00","modified_gmt":"2018-04-22T20:48:00","slug":"paper-accepted-molecular-simulation","status":"publish","type":"post","link":"https:\/\/sossogroup.uk\/paper-accepted-molecular-simulation\/","title":{"rendered":"Paper accepted | Molecular Simulation"},"content":{"rendered":"<h3><span class=\"NLM_article-title hlFld-title\">Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials<\/span><\/h3>\n<p><em>There is much to be done in the field of disordered systems, and machine learning has to help &#8211; exciting times ahead!<\/em><\/p>\n<p>There is no point in petending otherwise: &#8220;Machine Learning&#8221; is so much hyped it&#8217;s just not true. However, it turns out these clever (?) algorithms\u00a0<em>can<\/em> help us with a number of things. For instance, building interatomic potentials for complex systems (for which electronic structure calculations would cost too much) enabling large scale molecular dynamics simulations. To what end? Many. In here, we focus on what can be done with respect to the thermal properties of amorphous systems. If it sounds cumbersome, think about your window glasses basking in the sun &#8211; and there&#8217;s more, I\u00a0promise. Have a look at the paper <a href=\"https:\/\/www.tandfonline.com\/doi\/abs\/10.1080\/08927022.2018.1447107?scroll=top&amp;needAccess=true&amp;journalCode=gmos20\">online<\/a>, or just <a href=\"https:\/\/sossogroup.uk\/wp-content\/uploads\/2018\/04\/Sosso-et-al.-2018-Understanding-the-thermal-properties-of-amorphous-.pdf\">grab a .pdf<\/a>.<\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>There is no point in petending otherwise: &#8220;Machine Learning&#8221; is so much hyped it&#8217;s just not true. However, it turns out these clever (?) algorithms\u00a0can help us with a number of things. For instance, building interatomic potentials for complex systems (for which electronic structure calculations would cost too much) enabling large scale molecular dynamics simulations. To what end? Many. In here, we focus on what can be done with respect to the thermal properties of amorphous systems. If it sounds cumbersome, think<\/p>\n","protected":false},"author":2,"featured_media":72482,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[136],"tags":[],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v22.3 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Paper accepted | Molecular Simulation - 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\/paper-accepted-molecular-simulation\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Paper accepted | Molecular Simulation - Sosso Group\" \/>\n<meta property=\"og:description\" content=\"There is no point in petending otherwise: &quot;Machine Learning&quot; is so much hyped it&#039;s just not true. However, it turns out these clever (?) algorithms\u00a0can help us with a number of things. For instance, building interatomic potentials for complex systems (for which electronic structure calculations would cost too much) enabling large scale molecular dynamics simulations. To what end? Many. In here, we focus on what can be done with respect to the thermal properties of amorphous systems. If it sounds cumbersome, think\" \/>\n<meta property=\"og:url\" content=\"https:\/\/sossogroup.uk\/paper-accepted-molecular-simulation\/\" \/>\n<meta property=\"og:site_name\" content=\"Sosso Group\" \/>\n<meta property=\"article:published_time\" content=\"2018-03-14T20:47:32+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2018-04-22T20:48:00+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/sossogroup.uk\/wp-content\/uploads\/2018\/04\/gmos_a_1447107_f0007_oc.jpeg\" \/>\n\t<meta property=\"og:image:width\" content=\"829\" \/>\n\t<meta property=\"og:image:height\" content=\"782\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"author\" content=\"Dr Gabriele C. Sosso\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:creator\" content=\"@https:\/\/twitter.com\/sossogroup\" \/>\n<meta name=\"twitter:site\" content=\"@sossogroup\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"Dr Gabriele C. Sosso\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"Article\",\"@id\":\"https:\/\/sossogroup.uk\/paper-accepted-molecular-simulation\/#article\",\"isPartOf\":{\"@id\":\"https:\/\/sossogroup.uk\/paper-accepted-molecular-simulation\/\"},\"author\":{\"name\":\"Dr Gabriele C. 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And, in reverse order of importance: Avid Cyclist Massive Tolkien fan Husband &amp; Father of Two\",\"sameAs\":[\"https:\/\/sossogroup.uk\",\"https:\/\/twitter.com\/https:\/\/twitter.com\/sossogroup\"],\"url\":\"https:\/\/sossogroup.uk\/author\/gsosso\/\"}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Paper accepted | Molecular Simulation - Sosso Group","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/sossogroup.uk\/paper-accepted-molecular-simulation\/","og_locale":"en_US","og_type":"article","og_title":"Paper accepted | Molecular Simulation - Sosso Group","og_description":"There is no point in petending otherwise: \"Machine Learning\" is so much hyped it's just not true. However, it turns out these clever (?) algorithms\u00a0can help us with a number of things. 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