{"id":2226,"date":"2024-04-10T13:32:14","date_gmt":"2024-04-10T11:32:14","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2226"},"modified":"2025-07-23T14:19:16","modified_gmt":"2025-07-23T12:19:16","slug":"proyecto-development-of-a-neural-network-potential-to-reproduce-the-potential-energy-landscape-of-gold-aun-n10-120-anionic-cationic-and-neutral-nanoclusters","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyecto-development-of-a-neural-network-potential-to-reproduce-the-potential-energy-landscape-of-gold-aun-n10-120-anionic-cationic-and-neutral-nanoclusters\/","title":{"rendered":"Development of a Neural Network Potential to reproduce the potential energy landscape of gold AuN (N=10-120) anionic, cationic and neutral nanoclusters."},"content":{"rendered":"<div class=\"field field-name-field-proy-investigadores field-type-text-long field-label-above\">\n<div class=\"field-label\" style=\"text-align: justify;\"><strong>Researchers:\u00a0<\/strong><\/div>\n<div class=\"field-items\" style=\"text-align: justify;\">\n<div class=\"field-item even\">\n<ul>\n<li>Andr\u00e9s Vega-Hierro. Unversidad de Valladolid (<a href=\"https:\/\/www.uva.es\/\" target=\"_blank\" rel=\"noopener\">UVa<\/a>).<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-descripcion field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Description:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<p>Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (<a href=\"https:\/\/www.res.es\/\" target=\"_blank\" rel=\"noopener\">RES<\/a>).<\/p>\n<p>First principles calculations are the standard approach to study nanostructures, which are based on the fundamental laws of quantum mechanics. There are several situations however in which these calculations are not feasible, for instance in large systems containing thousands of atoms, or when exploring the completeness of the energy potential landscape. Thus, other approaches emerge such as the interatomic potentials, or the novel Neural Network Potentials. Based on the Machine Learning technique, these combine the speed of empirical potentials while being substantially more accurate. We have developed a Neural Network Potential for nanostructures, and we aim to apply this scheme to gold nanoclusters, a system arduous to study by ab-initio calculations and challenging to depict through empirical potentials due to its complexity.<\/p>\n<\/div>\n<\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 Andr\u00e9s Vega-Hierro. Unversidad de Valladolid (UVa). Descripci\u00f3n:\u00a0 Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (RES). First principles calculations are the standard approach to study nanostructures, which &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2226","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.1.1 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Development of a Neural Network Potential to reproduce the potential energy landscape of gold AuN (N=10-120) anionic, cationic and neutral nanoclusters. - Fundaci\u00f3n COMPUTAEX<\/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:\/\/computaex.es\/en\/proyecto-development-of-a-neural-network-potential-to-reproduce-the-potential-energy-landscape-of-gold-aun-n10-120-anionic-cationic-and-neutral-nanoclusters\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Development of a Neural Network Potential to reproduce the potential energy landscape of gold AuN (N=10-120) anionic, cationic and neutral nanoclusters. - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Andr\u00e9s Vega-Hierro. 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