{"id":20044,"date":"2024-08-28T12:41:03","date_gmt":"2024-08-28T16:41:03","guid":{"rendered":"https:\/\/carla2024.org\/?post_type=speaker&#038;p=20044"},"modified":"2024-09-04T11:12:34","modified_gmt":"2024-09-04T15:12:34","slug":"otoniel-denis","status":"publish","type":"speaker","link":"https:\/\/carla2024.org\/speaker\/otoniel-denis\/","title":{"rendered":"Otoniel Denis"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-post\" data-elementor-id=\"20044\" class=\"elementor elementor-20044\" data-elementor-post-type=\"speaker\">\n\t\t\t\t<div class=\"elementor-element elementor-element-424339d e-flex e-con-boxed e-con e-parent\" data-id=\"424339d\" data-element_type=\"container\">\n\t\t\t\t\t<div class=\"e-con-inner\">\n\t\t\t\t<div class=\"elementor-element elementor-element-7a6814f hidden-aine-title-yes hidden-aine-title-single-yes elementor-widget elementor-widget-aine-breadcrumb\" data-id=\"7a6814f\" data-element_type=\"widget\" data-widget_type=\"aine-breadcrumb.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t        <div class=\"breadcrumb\" typeof=\"BreadcrumbList\" vocab=\"https:\/\/schema.org\/\">\n            <div class=\"breadcrumb-listItem\"><!-- Breadcrumb NavXT 7.3.0 -->\n<span property=\"itemListElement\" typeof=\"ListItem\"><a property=\"item\" typeof=\"WebPage\" title=\"Go to Home.\" href=\"https:\/\/carla2024.org\" class=\"home\" aria-current=\"page\"><span property=\"name\">Home<\/span><\/a><meta property=\"position\" content=\"1\"><\/span><\/div>        <\/div>\n        \t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t<div class=\"elementor-element elementor-element-4aa313e e-flex e-con-boxed e-con e-parent\" data-id=\"4aa313e\" data-element_type=\"container\">\n\t\t\t\t\t<div class=\"e-con-inner\">\n\t\t<div class=\"elementor-element elementor-element-765a5d6 e-con-full e-flex e-con e-child\" data-id=\"765a5d6\" data-element_type=\"container\">\n\t\t\t\t<div class=\"elementor-element elementor-element-f9dc86c elementor-widget elementor-widget-image\" data-id=\"f9dc86c\" data-element_type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<style>\/*! elementor - v3.21.0 - 26-05-2024 *\/\n.elementor-widget-image{text-align:center}.elementor-widget-image a{display:inline-block}.elementor-widget-image a img[src$=\".svg\"]{width:48px}.elementor-widget-image img{vertical-align:middle;display:inline-block}<\/style>\t\t\t\t\t\t\t<figure class=\"wp-caption\">\n\t\t\t\t\t\t\t\t\t\t<img fetchpriority=\"high\" decoding=\"async\" width=\"294\" height=\"300\" src=\"https:\/\/carla2024.org\/wp-content\/uploads\/2024\/08\/OtonielDenis-294x300.png\" class=\"attachment-medium size-medium wp-image-20045\" alt=\"\" srcset=\"https:\/\/carla2024.org\/wp-content\/uploads\/2024\/08\/OtonielDenis-294x300.png 294w, https:\/\/carla2024.org\/wp-content\/uploads\/2024\/08\/OtonielDenis-768x784.png 768w, https:\/\/carla2024.org\/wp-content\/uploads\/2024\/08\/OtonielDenis-600x613.png 600w, https:\/\/carla2024.org\/wp-content\/uploads\/2024\/08\/OtonielDenis.png 800w\" sizes=\"(max-width: 294px) 100vw, 294px\" \/>\t\t\t\t\t\t\t\t\t\t\t<figcaption class=\"widget-image-caption wp-caption-text\"><\/figcaption>\n\t\t\t\t\t\t\t\t\t\t<\/figure>\n\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t<div class=\"elementor-element elementor-element-95c4295 e-con-full e-flex e-con e-child\" data-id=\"95c4295\" data-element_type=\"container\">\n\t\t\t\t<div class=\"elementor-element elementor-element-6dbf216 effect-gradient-yes elementor-widget elementor-widget-aine_animated-headline\" data-id=\"6dbf216\" data-element_type=\"widget\" speaker=\"\" data-widget_type=\"aine_animated-headline.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t        <h1  class=\"elementor-headline\">\n                <span class=\"elementor-headline-dynamic-wrapper elementor-headline-text-wrapper\">\n                    <span class=\"elementor-headline-dynamic-text elementor-headline-text-active\">Otoniel Denis Alpizar<\/span>\n        \t\t<\/span>\n                <\/h1>\n        \t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-e086121 elementor-widget elementor-widget-text-editor\" data-id=\"e086121\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<style>\/*! elementor - v3.21.0 - 26-05-2024 *\/\n.elementor-widget-text-editor.elementor-drop-cap-view-stacked .elementor-drop-cap{background-color:#69727d;color:#fff}.elementor-widget-text-editor.elementor-drop-cap-view-framed .elementor-drop-cap{color:#69727d;border:3px solid;background-color:transparent}.elementor-widget-text-editor:not(.elementor-drop-cap-view-default) .elementor-drop-cap{margin-top:8px}.elementor-widget-text-editor:not(.elementor-drop-cap-view-default) .elementor-drop-cap-letter{width:1em;height:1em}.elementor-widget-text-editor .elementor-drop-cap{float:left;text-align:center;line-height:1;font-size:50px}.elementor-widget-text-editor .elementor-drop-cap-letter{display:inline-block}<\/style>\t\t\t\t<p><strong>Affiliation: <\/strong>Departamento de F\u00edsica. Facultad de Ciencias. Universidad de Chile<\/p><p><strong>Country:<\/strong>\u00a0Chile<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-a03e32d elementor-widget elementor-widget-text-editor\" data-id=\"a03e32d\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<p><strong>Workshop: <a href=\"https:\/\/carla2024.org\/portfolios\/current-applications-of-computational-chemistry\/\">Current Applications of Computational Chemistry<\/a><\/strong><\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-3f336f8 elementor-widget elementor-widget-text-editor\" data-id=\"3f336f8\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<p><strong>Title: Computational Chemistry as a Critical Tool for Studying Molecular Processes in Extreme Conditions<\/strong><\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-a554df8 elementor-widget elementor-widget-text-editor\" data-id=\"a554df8\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<p><span style=\"font-weight: 400;\"><strong>Abstract<\/strong><\/span><\/p><p><span style=\"font-weight: 400;\">Experiments to study molecular processes under extreme conditions, such as the very low densities of interstellar molecular clouds and the enormous temperatures around spacecraft during atmospheric re-entry, are often complex and expensive. Therefore, theoretical and\u00a0 computational studies have become essential for understanding the chemical processes in such environments. The study of molecular interactions is crucial for determining reactive rate coefficients, which are used as input in aerothermodynamic models and astrochemical networks. Inelastic rate coefficients are essential for non-LTE models used to analyze\u00a0 interstellar observations. Reactive and inelastic collisions can be studied using a general methodology based on three steps. First, a set of ab initio energies is calculated for many\u00a0 geometric configurations of the system under study. Second, the calculated energy lattice is\u00a0 fitted to an analytical potential energy surface (PES). Developing an analytical function for reactive systems is more complicated than for van der Waals complexes because it involves\u00a0 multiple channels and requires a large ab initio energy grid. Third, the calculated PES is\u00a0 incorporated into a dynamics code that computes a large set of state-to-state reaction probabilities (for reactive systems) or inelastic cross-sections (for non-reactive systems). Finally, the rates are determined from these data. This talk examines this methodology with\u00a0 several examples of interest in astrochemistry and hypersonic regimes from recent studies. <\/span><\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-3e9d50d elementor-widget elementor-widget-text-editor\" data-id=\"3e9d50d\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<p><span style=\"font-weight: 400;\"><strong>Bio<\/strong><\/span><\/p><p><span style=\"font-weight: 400;\">Dr. Otoniel Denis Alpizar received his Ph.D. in 2014 from the University of Bordeaux,\u00a0 France, under the supervision of Thierry Stoecklin and Philippe Halvick. His research\u00a0 focused on quantum molecular collision studies for processes of astrophysical interest.\u00a0 After obtaining his Ph.D., he extended his stay at the same university for another year.\u00a0 In his next postdoctoral position, he joined the research group of Markus Meuwly at the <\/span><span style=\"font-weight: 400;\">University of Basel, Switzerland. He is currently an Assistant Professor in the\u00a0 Department of Physics at the Faculty of Science, Universidad de Chile. Dr. Denis\u00a0 Alpizar&#8217;s main research interests include molecular processes relevant to\u00a0 astrochemistry and atmospheric re-entry. His work includes the development of potential\u00a0 energy surfaces using ab initio methods, as well as quantum and quasiclassical studies\u00a0 of the dynamics of inelastic and reactive molecular collisions. He has published about\u00a0 55 peer-reviewed papers in these fields and received national (Fondecyt, ALMA\u00a0 funding) and international (AFOSR, ECOS funding) grants. In addition, Dr. Denis Alpizar\u00a0 is the scientific director of the BASECOL database.\u00a0<\/span><\/p><p><span style=\"font-weight: 400;\">More information: <a href=\"https:\/\/orcid.org\/0000-0002-0686-6927\">https:\/\/orcid.org\/0000-0002-0686-6927<\/a><\/span><\/p><p>\u00a0<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>Departamento de F\u00edsica. Facultad de Ciencias. Universidad de Chile.<\/p>\n","protected":false},"featured_media":20045,"parent":0,"template":"elementor_header_footer","meta":{"_acf_changed":false,"_eb_attr":""},"categories":[71],"acf":[],"_links":{"self":[{"href":"https:\/\/carla2024.org\/wp-json\/wp\/v2\/speaker\/20044"}],"collection":[{"href":"https:\/\/carla2024.org\/wp-json\/wp\/v2\/speaker"}],"about":[{"href":"https:\/\/carla2024.org\/wp-json\/wp\/v2\/types\/speaker"}],"version-history":[{"count":34,"href":"https:\/\/carla2024.org\/wp-json\/wp\/v2\/speaker\/20044\/revisions"}],"predecessor-version":[{"id":21636,"href":"https:\/\/carla2024.org\/wp-json\/wp\/v2\/speaker\/20044\/revisions\/21636"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/carla2024.org\/wp-json\/wp\/v2\/media\/20045"}],"wp:attachment":[{"href":"https:\/\/carla2024.org\/wp-json\/wp\/v2\/media?parent=20044"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/carla2024.org\/wp-json\/wp\/v2\/categories?post=20044"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}