{"id":13484,"date":"2026-10-08T09:09:24","date_gmt":"2026-10-08T09:09:24","guid":{"rendered":"https:\/\/energia.imdea.org\/events\/distinguished-seminar-understanding-organic-energy-materials-bridging-experiment-and-modelling\/"},"modified":"2026-10-08T09:23:43","modified_gmt":"2026-10-08T09:23:43","slug":"distinguished-seminar-understanding-organic-energy-materials-bridging-experiment-and-modelling","status":"publish","type":"mec-events","link":"https:\/\/energia.imdea.org\/en\/events\/distinguished-seminar-understanding-organic-energy-materials-bridging-experiment-and-modelling\/","title":{"rendered":"Distinguished Seminar: Understanding Organic Energy Materials: Bridging Experiment and Modelling"},"content":{"rendered":"<div  class=\"tatsu-ihv29k0z0p9fq3se tatsu-section  tatsu-bg-overlay   tatsu-clearfix\" data-title=\"\"  data-headerscheme=\"background--dark\"><div class='tatsu-section-pad clearfix' data-padding='{\"d\":\"0px 0px 90px 0px\"}' data-padding-top='0px'><div class=\"tatsu-row-wrap  tatsu-wrap tatsu-row-one-col tatsu-row-has-one-cols tatsu-medium-gutter tatsu-reg-cols  tatsu-clearfix tatsu-ihv29k0z228vn1ip\" ><div  class=\"tatsu-row \" ><div  class=\"tatsu-column  tatsu-bg-overlay tatsu-one-col tatsu-column-image-none tatsu-column-effect-none  tatsu-ihv29k0z357pedp5\"  data-parallax-speed=\"0\" style=\"\"><div class=\"tatsu-column-inner \" ><div class=\"tatsu-column-pad-wrap\"><div class=\"tatsu-column-pad\" ><div  class=\"tatsu-single-image tatsu-module tatsu-image-lazyload tatsu-BkXaACViGe  \" ><div class=\"tatsu-single-image-inner \" style=\"width : 1778px;\" ><div class = \"tatsu-single-image-padding-wrap\" style = \"padding-bottom : 56.242969628796%;\" ><\/div><img class = \"tatsu-gradient-border\" alt = \"\" title = \"HORIZONTAL (59)\" data-src = \"https:\/\/energia.imdea.org\/wp-content\/uploads\/2026\/10\/HORIZONTAL-59.jpg\" src =\"data:image\/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAEAAAABCAQAAAC1HAwCAAAAC0lEQVR42mNkYAAAAAYAAjCB0C8AAAAASUVORK5CYII=\"  \/><\/div><style>.tatsu-BkXaACViGe .tatsu-single-image-inner{border-style: solid;max-width: 100%;}.tatsu-BkXaACViGe.tatsu-single-image{transform: translate3d(0px,0px, 0);}<\/style><\/div><div  class=\"tatsu-module tatsu-text-block-wrap tatsu-ihv29k0z447o3skr  \"><div class=\"tatsu-text-inner tatsu-align-center  clearfix\" ><style>.tatsu-ihv29k0z447o3skr.tatsu-text-block-wrap .tatsu-text-inner{width: 100%;text-align: left;}<\/style>\n<p><strong>Abstract<\/strong><\/p>\n<p>Understanding the relationship between molecular structure, electronic properties and function is central to the development of organic materials for energy conversion and storage. Yet, the complexity of these materials often makes it difficult to obtain a complete microscopic picture from either experiment or modelling alone. In this seminar, I will discuss how advanced spectroscopic characterization and atomistic modelling can be combined to address this challenge across different classes of organic energy materials.<\/p>\n<p>Examples from organic semiconductors will illustrate how X-ray absorption and photoelectron spectroscopies, together with electronic-structure calculations, can provide complementary information on molecular orientation, electronic states and ultrafast charge-transfer processes. Particular attention will be given to how experimental and theoretical quantities should be compared when describing fundamental properties such as the energy gap, and to the limitations of isolated-molecule descriptions when intermolecular interactions, structural disorder and the surrounding environment become important.<\/p>\n<p>I will then discuss how the theoretical description can be progressively extended from molecular calculations to crystal-structure prediction and multiscale approaches combining molecular dynamics and quantum-mechanical calculations. Such approaches make it possible to connect experimentally observed properties with the atomic-scale structure of crystalline as well as solution-processed disordered materials.<\/p>\n<p>Such approaches make it possible to connect experimentally observed properties with the atomic-scale structure of crystalline and solution-processed disordered materials, with applications ranging from organic semiconductors to electrochemical energy-storage materials.<\/p>\n<p><strong>Short bio<\/strong><\/p>\n<p>Cleber Marchiori is Assistant Professor in Experimental Materials Physics at Karlstad University, Sweden. His research focuses on the electronic structure and physicochemical properties of organic and molecular materials for energy applications, with particular emphasis on advanced X-ray spectroscopies and the combination of experimental characterization with atomistic and electronic-structure modelling.<\/p>\n<p>His experimental work makes extensive use of synchrotron radiation techniques, including X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure (NEXAFS) spectroscopy and resonant photoelectron spectroscopy (ResPES), to investigate electronic structure, molecular organization, charge-transfer processes and degradation in organic energy materials. His research has involved experiments at several synchrotron facilities, including MAX IV, SOLARIS and Sirius.<\/p>\n<p>A recurring theme of his research is the close integration of experiment and theory, ranging from density-functional and excited-state calculations used to interpret spectroscopy to atomistic and multiscale approaches for complex materials. He has worked on organic semiconductors, photovoltaic materials, organic battery electrodes and polymer electrolytes, with the broader aim of establishing structure\u2013property relationships that can guide the development of functional materials for sustainable energy technologies.<\/p>\n<p>\u00a0<\/p>\n<\/div><\/div><\/div><\/div><div class = \"tatsu-column-bg-image-wrap\"><div class = \"tatsu-column-bg-image\" ><\/div><\/div><div class=\"tatsu-overlay tatsu-column-overlay tatsu-animate-none\" ><\/div><\/div><style>.tatsu-row > .tatsu-ihv29k0z357pedp5.tatsu-column{width: 100%;}.tatsu-ihv29k0z357pedp5.tatsu-column > .tatsu-column-inner > .tatsu-column-overlay{mix-blend-mode: normal;}.tatsu-ihv29k0z357pedp5 > .tatsu-column-inner > .tatsu-top-divider{z-index: 9999;}.tatsu-ihv29k0z357pedp5 > .tatsu-column-inner > .tatsu-bottom-divider{z-index: 9999;}.tatsu-ihv29k0z357pedp5 > .tatsu-column-inner > .tatsu-left-divider{z-index: 9999;}.tatsu-ihv29k0z357pedp5 > .tatsu-column-inner > .tatsu-right-divider{z-index: 9999;}<\/style><\/div><\/div><\/div><\/div><div class=\"tatsu-section-background-wrap\"><div class = \"tatsu-section-background\" ><\/div><\/div><div class=\"tatsu-overlay tatsu-section-overlay\"><\/div><style>.tatsu-ihv29k0z0p9fq3se .tatsu-section-pad{padding: 0px 0px 90px 0px;}.tatsu-ihv29k0z0p9fq3se > .tatsu-bottom-divider{z-index: 9999;}.tatsu-ihv29k0z0p9fq3se > .tatsu-top-divider{z-index: 9999;}.tatsu-ihv29k0z0p9fq3se .tatsu-section-overlay{mix-blend-mode: normal;}<\/style><\/div>\n","protected":false},"excerpt":{"rendered":"<p><a href=\"https:\/\/energia.imdea.org\/en\/events\/distinguished-seminar-understanding-organic-energy-materials-bridging-experiment-and-modelling\/\" class=\"more-link style1-button\">Read More<\/a><\/p>","protected":false},"author":3,"featured_media":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_vp_format_video_url":"","_vp_image_focal_point":[]},"tags":[],"mec_category":[58,59],"class_list":["post-13484","mec-events","type-mec-events","status-publish","hentry","mec_category-event","mec_category-events-home"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.6 - 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