{"id":2591,"date":"2024-04-11T09:34:44","date_gmt":"2024-04-11T07:34:44","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2591"},"modified":"2025-08-29T11:57:05","modified_gmt":"2025-08-29T09:57:05","slug":"proyecto-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\/","title":{"rendered":"Estudio cin\u00e9tico de reacciones poliat\u00f3micas mediante el m\u00e9todo RPMD"},"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><strong>Joaqu\u00edn Espinosa Garc\u00eda<\/strong>.\u00a0<a href=\"http:\/\/www.unex.es\/\">Universidad de Extremadura<\/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>La cin\u00e9tica qu\u00edmica estudia los cambios que se producen en un sistema reactivo con la concentraci\u00f3n y el tiempo, lo que nos ayudar\u00e1 en la comprensi\u00f3n de su mecanismo de reacci\u00f3n.<\/p>\n<p>Una de las l\u00edneas de investigaci\u00f3n del grupo\u00a0<a href=\"\/en\/proyectos\/gcydex\/\">GCYDEX<\/a>\u00a0es el estudio cin\u00e9tico de reacciones poliat\u00f3micas. Hasta el momento se ha utilizado la Teor\u00eda del Estado de Transici\u00f3n Variacional para realizar dichos c\u00e1lculos, pero recientemente se ha desarrollado un nuevo m\u00e9todo, Ring Polymer Molecular Dynamics (RPMD), que presenta un comportamiento m\u00e1s robusto.<\/p>\n<p>Sin embargo, el mayor inconveniente que presenta el m\u00e9todo es su elevado coste computacional, pues al ser un m\u00e9todo multidimensional se necesitan muchos procesadores (del orden de la centena).<\/p>\n<\/div>\n<\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 Joaqu\u00edn Espinosa Garc\u00eda.\u00a0Universidad de Extremadura. Descripci\u00f3n:\u00a0 La cin\u00e9tica qu\u00edmica estudia los cambios que se producen en un sistema reactivo con la concentraci\u00f3n y el tiempo, lo que nos ayudar\u00e1 &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":9950,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2591","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.5 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Estudio cin\u00e9tico de reacciones poliat\u00f3micas mediante el m\u00e9todo RPMD - 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-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Estudio cin\u00e9tico de reacciones poliat\u00f3micas mediante el m\u00e9todo RPMD - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Joaqu\u00edn Espinosa Garc\u00eda.\u00a0Universidad de Extremadura. Descripci\u00f3n:\u00a0 La cin\u00e9tica qu\u00edmica estudia los cambios que se producen en un sistema reactivo con la concentraci\u00f3n y el tiempo, lo que nos ayudar\u00e1 ...\" \/>\n<meta property=\"og:url\" content=\"https:\/\/computaex.es\/en\/proyectos\/proyecto-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\/\" \/>\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=\"2025-08-29T09:57:05+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-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\\\/\",\"url\":\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\\\/\",\"name\":\"Estudio cin\u00e9tico de reacciones poliat\u00f3micas mediante el m\u00e9todo RPMD - Fundaci\u00f3n COMPUTAEX\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/computaex.es\\\/#website\"},\"datePublished\":\"2024-04-11T07:34:44+00:00\",\"dateModified\":\"2025-08-29T09:57:05+00:00\",\"breadcrumb\":{\"@id\":\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\\\/#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\\\/\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\\\/\\\/computaex.es\\\/proyectos\\\/proyecto-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\\\/#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\":\"Estudio cin\u00e9tico de reacciones poliat\u00f3micas mediante el m\u00e9todo RPMD\"}]},{\"@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":"Estudio cin\u00e9tico de reacciones poliat\u00f3micas mediante el m\u00e9todo RPMD - 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-estudio-cinetico-de-reacciones-poliatomicas-mediante-el-metodo-rpmd\/","og_locale":"en_US","og_type":"article","og_title":"Estudio cin\u00e9tico de reacciones poliat\u00f3micas mediante el m\u00e9todo RPMD - Fundaci\u00f3n COMPUTAEX","og_description":"Investigadores:\u00a0 Joaqu\u00edn Espinosa Garc\u00eda.\u00a0Universidad de Extremadura. 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