{"id":10488,"date":"2026-10-22T13:36:04","date_gmt":"2026-10-22T13:36:04","guid":{"rendered":"https:\/\/lumomat.fr\/?p=10488"},"modified":"2026-10-22T13:36:58","modified_gmt":"2026-10-22T13:36:58","slug":"thesis-defense-jakub-sirucek-lundi-26-octobre-2026","status":"publish","type":"post","link":"https:\/\/lumomat.fr\/eng\/thesis-defense-jakub-sirucek-lundi-26-octobre-2026\/","title":{"rendered":"Thesis Defense Jakub \u0160ir\u016f\u010dek &#8211; Lundi 26 Octobre 2026"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-post\" data-elementor-id=\"10488\" class=\"elementor elementor-10488\" data-elementor-post-type=\"post\">\n\t\t\t\t<div class=\"elementor-element elementor-element-590c10d e-flex e-con-boxed e-con e-parent\" data-id=\"590c10d\" data-element_type=\"container\" data-e-type=\"container\">\n\t\t\t\t\t<div class=\"e-con-inner\">\n\t\t\t\t<div class=\"elementor-element elementor-element-1d1c158 elementor-widget elementor-widget-text-editor\" data-id=\"1d1c158\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>\ud83c\udf93 [THESIS DEFENSE] &#8211; Jakub \u0160ir\u016f\u010dek will defend his PhD thesis: <br \/>\ud83d\udd2c \u201cAb initio modeling of excited-state absorption\u201d <br \/>\ud83d\udcc5 Wednesday 28 October 2026 at 14:00 &#8211; ISCR\/Universit\u00e9 de Rennes &#8211; Amphi Grandjean This thesis is co-funded by EUR LUMOMAT, Nantes Universit\u00e9, SFRi Triton and Universit\u00e9 de Rennes<!-- notionvc: 0f3d0d70-860c-406e-8e58-79a471347e7c --><\/p>\t\t\t\t\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-a62cf87 e-flex e-con-boxed e-con e-parent\" data-id=\"a62cf87\" data-element_type=\"container\" data-e-type=\"container\">\n\t\t\t\t\t<div class=\"e-con-inner\">\n\t\t\t\t<div class=\"elementor-element elementor-element-4613d34 elementor-widget elementor-widget-text-editor\" data-id=\"4613d34\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>This thesis is supervised by Prof. Denis JACQUEMIN \u2013 CEISAM &#8211; Nantes Universit\u00e9 and Dr. Boris LE GUENNIC \u2013 CNRS\/ISCR &#8211; Universit\u00e9 de Rennes<\/p><p>Examining Committee :<br \/>\u2796 Prof. Beno\u00eet CHAMPAGNE \u2013 Laboratoire de Chimie Th\u00e9orique &#8211; Universit\u00e9 de Namur \u2013 Reviewer <br \/>\u2796 Dr. Ilaria CIOFINI \u2013 CNRS\/Chimie ParisTech \u2013 Reviewer<br \/>\u2796 Dr. Miquel HUIX-ROTLLANT \u2013 CNRS\/Institut de Chimie Radicalaire de Marseille \u2013 Examiner<br \/>\u2796 Dr. Alexandra VIEL \u2013 CNRS\/IPR &#8211; Universit\u00e9 de Rennes \u2013 Examiner<\/p><p>[\ud83d\udcc4 ABSTRACT] Optical limiting materials have emerged as an efficient means of protecting human eyes against intense radiation, e.g., pilots\u2019 vision against malicious laser dazzling. Ideally, such materials retain transparency at low fluence while absorbing part of the incoming radiation at high fluence. Efficient design of optical limiting molecules typically requires intense excited-state absorption (ESA). To theoretically describe ESA using computational chemistry, one is interested in its intensity, described by ESA oscillator strengths ($f_{ESA}$), and the positions of ESA peaks, corresponding to ESA energy gaps ($E_{ESA}$). Both can be obtained efficiently using quadratic and linear response theory, notably within TD-DFT. In this thesis, I developed a cost-effective methodology for ab initio calculations of $f_{ESA}$ and $E_{ESA}$. I established accurate $f_{ESA}$ values using QR-CC3 to assess less expensive methods, notably QR-TD-DFT. Following this benchmark, I implemented and analyzed an additional unrelaxed LR-TD-DFT approximation, allowing solvent effects to be introduced via LR-PCM and $cLR^{2}$. These results allowed me to validate ESA energy gaps and oscillator strengths against transient spectroscopy and ultimately derive design rules for intense ESA in azulene derivatives for optical limiting.<\/p>\t\t\t\t\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>\ud83c\udf93 [THESIS DEFENSE] &#8211; Jakub \u0160ir\u016f\u010dek will defend his PhD thesis: \ud83d\udd2c \u201cAb initio modeling of excited-state absorption\u201d \ud83d\udcc5 Wednesday 28 October 2026 at 14:00 &#8211; ISCR\/Universit\u00e9 de Rennes &#8211; Amphi Grandjean This thesis is co-funded by EUR LUMOMAT, Nantes Universit\u00e9, SFRi Triton and Universit\u00e9 de Rennes This thesis is supervised by Prof. Denis JACQUEMIN [&hellip;]<\/p>\n","protected":false},"author":7,"featured_media":10489,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"inline_featured_image":false,"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"set","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"footnotes":""},"categories":[1],"tags":[],"class_list":["post-10488","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-actualites"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.7 - 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