{"id":2218,"date":"2024-04-10T13:31:05","date_gmt":"2024-04-10T11:31:05","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2218"},"modified":"2025-08-29T12:14:49","modified_gmt":"2025-08-29T10:14:49","slug":"proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/","title":{"rendered":"Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix"},"content":{"rendered":"<p><strong>Researchers:<\/strong><\/p>\n<ul>\n<li style=\"text-align: justify;\">C\u00e9sar Gonz\u00e1lez.\u00a0Universidad Complutense de Madrid (<a href=\"https:\/\/www.ucm.es\/\" target=\"_blank\" rel=\"noopener\" data-cke-saved-href=\"https:\/\/www.ucm.es\/\">UCM<\/a>).<\/li>\n<\/ul>\n<p style=\"text-align: justify;\"><strong>Description:<\/strong><\/p>\n<p style=\"text-align: justify;\">Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (<a href=\"https:\/\/www.res.es\/\" target=\"_blank\" rel=\"noopener\" data-cke-saved-href=\"https:\/\/www.res.es\/\">RES<\/a>).<\/p>\n<p style=\"text-align: justify;\">Motivated by the recent synthesis of magnetic carbides nanoparticles (NP) developed at the Institute of Applied Magnetism, we propose the theoretical study, based on the Density Functional Theory (DFT), of the interface formed between the iron carbide, the so-called cementite (Fe3C) with a graphitic layer that covers the NP. The determination of the interaction established between both subsystems is of paramount importance for the understanding of the magnetic properties of the NPs and their further application as efficient lightweight microwave absorbing material. The theoretical calculations can help in the atomic and magnetic characterization of such complex interface as well as the most favorable Fe3C surface for the graphite adsorption. The large unit cells required by the simulations demands the use of supercomputer facilities.<\/p>","protected":false},"excerpt":{"rendered":"<p>Investigadores: C\u00e9sar Gonz\u00e1lez.\u00a0Universidad Complutense de Madrid (UCM). Descripci\u00f3n: Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (RES). Motivated by the recent synthesis of magnetic carbides nanoparticles (NP) developed &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":9950,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[102,81],"tags":[],"class_list":["post-2218","page","type-page","status-publish","hentry","category-ciencias-de-la-tierra","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.6 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix - 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\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores: C\u00e9sar Gonz\u00e1lez.\u00a0Universidad Complutense de Madrid (UCM). Descripci\u00f3n: Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (RES). Motivated by the recent synthesis of magnetic carbides nanoparticles (NP) developed ...\" \/>\n<meta property=\"og:url\" content=\"https:\/\/computaex.es\/en\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/\" \/>\n<meta property=\"og:site_name\" content=\"Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"article:publisher\" content=\"https:\/\/m.facebook.com\/computaex\/\" \/>\n<meta property=\"article:modified_time\" content=\"2025-08-29T10:14:49+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/computaex.es\/wp-content\/uploads\/2025\/08\/COMPUTAEX.jpg\" \/>\n\t<meta property=\"og:image:width\" content=\"1024\" \/>\n\t<meta property=\"og:image:height\" content=\"403\" \/>\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=\"@computaex\" \/>\n<meta name=\"twitter:label1\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data1\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\\\/\\\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\\\/\",\"url\":\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\\\/\",\"name\":\"Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix - Fundaci\u00f3n COMPUTAEX\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/computaex.es\\\/#website\"},\"datePublished\":\"2024-04-10T11:31:05+00:00\",\"dateModified\":\"2025-08-29T10:14:49+00:00\",\"breadcrumb\":{\"@id\":\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\\\/#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\\\/\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\\\/#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Portada\",\"item\":\"https:\\\/\\\/computaex.es\\\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Proyectos\",\"item\":\"https:\\\/\\\/computaex.es\\\/proyectos\\\/\"},{\"@type\":\"ListItem\",\"position\":3,\"name\":\"Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\\\/\\\/computaex.es\\\/#website\",\"url\":\"https:\\\/\\\/computaex.es\\\/\",\"name\":\"Fundaci\u00f3n COMPUTAEX\",\"description\":\"COMPUTAEX\",\"publisher\":{\"@id\":\"https:\\\/\\\/computaex.es\\\/#organization\"},\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\\\/\\\/computaex.es\\\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"en-US\"},{\"@type\":\"Organization\",\"@id\":\"https:\\\/\\\/computaex.es\\\/#organization\",\"name\":\"COMPUTAEX\",\"url\":\"https:\\\/\\\/computaex.es\\\/\",\"logo\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\\\/\\\/computaex.es\\\/#\\\/schema\\\/logo\\\/image\\\/\",\"url\":\"https:\\\/\\\/computaex.es\\\/wp-content\\\/uploads\\\/2025\\\/05\\\/cropped-COMPUTAEX_transparente-scaled-1.png\",\"contentUrl\":\"https:\\\/\\\/computaex.es\\\/wp-content\\\/uploads\\\/2025\\\/05\\\/cropped-COMPUTAEX_transparente-scaled-1.png\",\"width\":2560,\"height\":970,\"caption\":\"COMPUTAEX\"},\"image\":{\"@id\":\"https:\\\/\\\/computaex.es\\\/#\\\/schema\\\/logo\\\/image\\\/\"},\"sameAs\":[\"https:\\\/\\\/m.facebook.com\\\/computaex\\\/\",\"https:\\\/\\\/x.com\\\/computaex\",\"https:\\\/\\\/es.linkedin.com\\\/company\\\/cenits\"]}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix - Fundaci\u00f3n COMPUTAEX","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:\/\/computaex.es\/en\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/","og_locale":"en_US","og_type":"article","og_title":"Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix - Fundaci\u00f3n COMPUTAEX","og_description":"Investigadores: C\u00e9sar Gonz\u00e1lez.\u00a0Universidad Complutense de Madrid (UCM). Descripci\u00f3n: Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (RES). Motivated by the recent synthesis of magnetic carbides nanoparticles (NP) developed ...","og_url":"https:\/\/computaex.es\/en\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/","og_site_name":"Fundaci\u00f3n COMPUTAEX","article_publisher":"https:\/\/m.facebook.com\/computaex\/","article_modified_time":"2025-08-29T10:14:49+00:00","og_image":[{"width":1024,"height":403,"url":"https:\/\/computaex.es\/wp-content\/uploads\/2025\/08\/COMPUTAEX.jpg","type":"image\/jpeg"}],"twitter_card":"summary_large_image","twitter_site":"@computaex","twitter_misc":{"Est. reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/computaex.es\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/","url":"https:\/\/computaex.es\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/","name":"Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix - Fundaci\u00f3n COMPUTAEX","isPartOf":{"@id":"https:\/\/computaex.es\/#website"},"datePublished":"2024-04-10T11:31:05+00:00","dateModified":"2025-08-29T10:14:49+00:00","breadcrumb":{"@id":"https:\/\/computaex.es\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["https:\/\/computaex.es\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/"]}]},{"@type":"BreadcrumbList","@id":"https:\/\/computaex.es\/proyectos\/proyecto-theoretical-simulations-of-novel-magnetic-carbides-immersed-in-a-graphene-based-matrix\/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Portada","item":"https:\/\/computaex.es\/"},{"@type":"ListItem","position":2,"name":"Proyectos","item":"https:\/\/computaex.es\/proyectos\/"},{"@type":"ListItem","position":3,"name":"Theoretical simulations of novel Magnetic Carbides immersed in a graphene-based matrix"}]},{"@type":"WebSite","@id":"https:\/\/computaex.es\/#website","url":"https:\/\/computaex.es\/","name":"COMPUTAEX Foundation","description":"COMPUTAEX","publisher":{"@id":"https:\/\/computaex.es\/#organization"},"potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/computaex.es\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"en-US"},{"@type":"Organization","@id":"https:\/\/computaex.es\/#organization","name":"COMPUTAEX","url":"https:\/\/computaex.es\/","logo":{"@type":"ImageObject","inLanguage":"en-US","@id":"https:\/\/computaex.es\/#\/schema\/logo\/image\/","url":"https:\/\/computaex.es\/wp-content\/uploads\/2025\/05\/cropped-COMPUTAEX_transparente-scaled-1.png","contentUrl":"https:\/\/computaex.es\/wp-content\/uploads\/2025\/05\/cropped-COMPUTAEX_transparente-scaled-1.png","width":2560,"height":970,"caption":"COMPUTAEX"},"image":{"@id":"https:\/\/computaex.es\/#\/schema\/logo\/image\/"},"sameAs":["https:\/\/m.facebook.com\/computaex\/","https:\/\/x.com\/computaex","https:\/\/es.linkedin.com\/company\/cenits"]}]}},"_links":{"self":[{"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages\/2218","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/comments?post=2218"}],"version-history":[{"count":8,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages\/2218\/revisions"}],"predecessor-version":[{"id":8542,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages\/2218\/revisions\/8542"}],"up":[{"embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages\/9950"}],"wp:attachment":[{"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/media?parent=2218"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/categories?post=2218"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/tags?post=2218"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}