{"id":43649,"date":"2022-09-09T16:36:34","date_gmt":"2022-09-09T14:36:34","guid":{"rendered":"https:\/\/www.ub.edu\/in2ub\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/"},"modified":"2022-09-09T16:41:27","modified_gmt":"2022-09-09T14:41:27","slug":"the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations","status":"publish","type":"post","link":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/","title":{"rendered":"The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations."},"content":{"rendered":"<p>A collaborative work between researchers from <a href=\"https:\/\/www.ub.edu\/in2ub\/ca\/grup-de-recerca\/statistical-physics-of-bio-nano-systems-and-complex-matter\/\">Statistical Physics of Bio-Nano Systems and Complex Matter<\/a>, the Ioannina University and the Universitat Polit\u00e8cnica de Catalunya, has shown that Car Parrinello quantum calculations reveal that water under ambient conditions has nano fluctuations between two_states with different electric dipoles and dynamics.<\/p>\n<p><a href=\"https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S016773222201474X?via%3Dihub\" target=\"_blank\" rel=\"noopener\">Using Car-Parrinello simulations and microscopic order descriptors to reveal two locally favored structures with distinct molecular dipole moments and dynamics in ambient liquid water. <\/a><em>Ioannis Skarmoutsos, Giancarlo Franzese, Elvira Guardia. <\/em>Journal of Molecular Liquids, Volume 364, 2022,<br \/>\n119936<\/p>\n","protected":false},"excerpt":{"rendered":"<p>A collaborative work between researchers from Statistical Physics of Bio-Nano Systems and Complex Matter, the Ioannina University and the Universitat Polit\u00e8cnica de Catalunya, has shown that Car Parrinello quantum calculations reveal that water under ambient conditions has nano fluctuations between two_states with different electric dipoles and dynamics. Using Car-Parrinello simulations and microscopic order descriptors to&#8230;<\/p>\n","protected":false},"author":2,"featured_media":43645,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[18],"tags":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v23.5 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations. - IN\u00b2UB<\/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:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/\" \/>\n<meta property=\"og:locale\" content=\"ca_ES\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations. - IN\u00b2UB\" \/>\n<meta property=\"og:description\" content=\"A collaborative work between researchers from Statistical Physics of Bio-Nano Systems and Complex Matter, the Ioannina University and the Universitat Polit\u00e8cnica de Catalunya, has shown that Car Parrinello quantum calculations reveal that water under ambient conditions has nano fluctuations between two_states with different electric dipoles and dynamics. Using Car-Parrinello simulations and microscopic order descriptors to...\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/\" \/>\n<meta property=\"og:site_name\" content=\"IN\u00b2UB\" \/>\n<meta property=\"article:published_time\" content=\"2022-09-09T14:36:34+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2022-09-09T14:41:27+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2022\/09\/G.Franzese.22.png\" \/>\n\t<meta property=\"og:image:width\" content=\"1255\" \/>\n\t<meta property=\"og:image:height\" content=\"696\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/png\" \/>\n<meta name=\"author\" content=\"IN2UB\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Escrit per\" \/>\n\t<meta name=\"twitter:data1\" content=\"IN2UB\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/\",\"url\":\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/\",\"name\":\"The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations. - IN\u00b2UB\",\"isPartOf\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#website\"},\"primaryImageOfPage\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#primaryimage\"},\"image\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#primaryimage\"},\"thumbnailUrl\":\"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2022\/09\/G.Franzese.22.png\",\"datePublished\":\"2022-09-09T14:36:34+00:00\",\"dateModified\":\"2022-09-09T14:41:27+00:00\",\"author\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/fee647be08dbdfdd1486fbe8067be972\"},\"breadcrumb\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#breadcrumb\"},\"inLanguage\":\"ca\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/\"]}]},{\"@type\":\"ImageObject\",\"inLanguage\":\"ca\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#primaryimage\",\"url\":\"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2022\/09\/G.Franzese.22.png\",\"contentUrl\":\"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2022\/09\/G.Franzese.22.png\",\"width\":1255,\"height\":696},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Inici\",\"item\":\"https:\/\/www.ub.edu\/in2ub\/ca\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations.\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#website\",\"url\":\"https:\/\/www.ub.edu\/in2ub\/\",\"name\":\"IN\u00b2UB\",\"description\":\"Institut de Nanoci\u00e8ncia i Nanotecnologia - Universitat de Barcelona\",\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/www.ub.edu\/in2ub\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"ca\"},{\"@type\":\"Person\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/fee647be08dbdfdd1486fbe8067be972\",\"name\":\"IN2UB\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"ca\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/image\/\",\"url\":\"https:\/\/secure.gravatar.com\/avatar\/15350879e1365c6016231f421f771d35?s=96&d=mm&r=g\",\"contentUrl\":\"https:\/\/secure.gravatar.com\/avatar\/15350879e1365c6016231f421f771d35?s=96&d=mm&r=g\",\"caption\":\"IN2UB\"},\"url\":\"https:\/\/www.ub.edu\/in2ub\/ca\/author\/in2ub_doc\/\"}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations. - IN\u00b2UB","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:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/","og_locale":"ca_ES","og_type":"article","og_title":"The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations. - IN\u00b2UB","og_description":"A collaborative work between researchers from Statistical Physics of Bio-Nano Systems and Complex Matter, the Ioannina University and the Universitat Polit\u00e8cnica de Catalunya, has shown that Car Parrinello quantum calculations reveal that water under ambient conditions has nano fluctuations between two_states with different electric dipoles and dynamics. Using Car-Parrinello simulations and microscopic order descriptors to...","og_url":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/","og_site_name":"IN\u00b2UB","article_published_time":"2022-09-09T14:36:34+00:00","article_modified_time":"2022-09-09T14:41:27+00:00","og_image":[{"width":1255,"height":696,"url":"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2022\/09\/G.Franzese.22.png","type":"image\/png"}],"author":"IN2UB","twitter_card":"summary_large_image","twitter_misc":{"Escrit per":"IN2UB"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/","url":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/","name":"The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations. - IN\u00b2UB","isPartOf":{"@id":"https:\/\/www.ub.edu\/in2ub\/#website"},"primaryImageOfPage":{"@id":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#primaryimage"},"image":{"@id":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#primaryimage"},"thumbnailUrl":"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2022\/09\/G.Franzese.22.png","datePublished":"2022-09-09T14:36:34+00:00","dateModified":"2022-09-09T14:41:27+00:00","author":{"@id":"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/fee647be08dbdfdd1486fbe8067be972"},"breadcrumb":{"@id":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#breadcrumb"},"inLanguage":"ca","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/"]}]},{"@type":"ImageObject","inLanguage":"ca","@id":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#primaryimage","url":"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2022\/09\/G.Franzese.22.png","contentUrl":"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2022\/09\/G.Franzese.22.png","width":1255,"height":696},{"@type":"BreadcrumbList","@id":"https:\/\/www.ub.edu\/in2ub\/ca\/the-exploration-of-fluctuations-of-the-local-structural-network-in-ambient-liquid-water-by-using-car-parrinello-simulations\/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Inici","item":"https:\/\/www.ub.edu\/in2ub\/ca\/"},{"@type":"ListItem","position":2,"name":"The exploration of fluctuations of the local structural network in ambient liquid water by using Car-Parrinello simulations."}]},{"@type":"WebSite","@id":"https:\/\/www.ub.edu\/in2ub\/#website","url":"https:\/\/www.ub.edu\/in2ub\/","name":"IN\u00b2UB","description":"Institut de Nanoci\u00e8ncia i Nanotecnologia - Universitat de Barcelona","potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/www.ub.edu\/in2ub\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"ca"},{"@type":"Person","@id":"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/fee647be08dbdfdd1486fbe8067be972","name":"IN2UB","image":{"@type":"ImageObject","inLanguage":"ca","@id":"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/image\/","url":"https:\/\/secure.gravatar.com\/avatar\/15350879e1365c6016231f421f771d35?s=96&d=mm&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/15350879e1365c6016231f421f771d35?s=96&d=mm&r=g","caption":"IN2UB"},"url":"https:\/\/www.ub.edu\/in2ub\/ca\/author\/in2ub_doc\/"}]}},"_links":{"self":[{"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/posts\/43649"}],"collection":[{"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/comments?post=43649"}],"version-history":[{"count":1,"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/posts\/43649\/revisions"}],"predecessor-version":[{"id":43650,"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/posts\/43649\/revisions\/43650"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/media\/43645"}],"wp:attachment":[{"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/media?parent=43649"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/categories?post=43649"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/ca\/wp-json\/wp\/v2\/tags?post=43649"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}