{"id":57,"date":"2024-09-03T12:51:09","date_gmt":"2024-09-03T12:51:09","guid":{"rendered":"https:\/\/sites.unimi.it\/etsf\/?page_id=57"},"modified":"2026-05-29T12:00:57","modified_gmt":"2026-05-29T12:00:57","slug":"webinars","status":"publish","type":"page","link":"https:\/\/sites.unimi.it\/etsf\/events\/webinars\/","title":{"rendered":"Webinars"},"content":{"rendered":"<div class=\"yrc-shell-cover \" data-yrc-uid=\"6a24c63f09a10\" data-yrc-channel=\"{&quot;meta&quot;:{&quot;user&quot;:&quot;European Theoretical Spectroscopy Facility - ETSF&quot;,&quot;channel&quot;:&quot;UCkxlxpwH0D0k_Vq5IWtleCQ&quot;,&quot;key&quot;:&quot;yrc_1753258853&quot;,&quot;apikey&quot;:&quot;AIzaSyCvi6qhIbisq7NHZqce1j5IabGv55_GFqE&quot;,&quot;cache&quot;:&quot;1440&quot;,&quot;channel_uploads&quot;:&quot;UUkxlxpwH0D0k_Vq5IWtleCQ&quot;,&quot;onlyonce&quot;:&quot;&quot;,&quot;tag&quot;:&quot;&quot;,&quot;per_page&quot;:&quot;4&quot;,&quot;maxv&quot;:&quot;5&quot;,&quot;consent&quot;:{&quot;ask&quot;:&quot;&quot;,&quot;url&quot;:&quot;&quot;},&quot;ads&quot;:&quot;1&quot;,&quot;uid&quot;:&quot;6a24c63f09a10&quot;,&quot;nocookie&quot;:&quot;&quot;},&quot;style&quot;:{&quot;colors&quot;:{&quot;item&quot;:{&quot;background&quot;:&quot;inherit&quot;},&quot;button&quot;:{&quot;background&quot;:&quot;#333&quot;,&quot;color&quot;:&quot;#fff&quot;},&quot;color&quot;:{&quot;text&quot;:&quot;#fff&quot;,&quot;link&quot;:&quot;inherit&quot;,&quot;menu&quot;:&quot;#000&quot;,&quot;meta&quot;:&quot;inherit&quot;}},&quot;theme&quot;:{&quot;videos&quot;:{&quot;style&quot;:&quot;__grid&quot;,&quot;thumb&quot;:[&quot;large&quot;,&quot;open&quot;],&quot;desc&quot;:&quot;&quot;,&quot;carousel&quot;:{&quot;thumbs&quot;:&quot;4&quot;,&quot;thumbs_to_slide&quot;:&quot;2&quot;,&quot;spacing&quot;:&quot;8&quot;},&quot;carousel_nav&quot;:{&quot;modifier&quot;:&quot;__sides&quot;,&quot;position&quot;:&quot;left-none&quot;,&quot;location&quot;:&quot;prepend&quot;,&quot;background&quot;:&quot;#fff&quot;,&quot;color&quot;:&quot;#000&quot;,&quot;font_size&quot;:&quot;2&quot;,&quot;border_radius&quot;:&quot;0&quot;}},&quot;a&quot;:&quot;1&quot;},&quot;fit&quot;:&quot;false&quot;,&quot;playlists&quot;:&quot;&quot;,&quot;uploads&quot;:&quot;true&quot;,&quot;player_mode&quot;:&quot;1&quot;,&quot;truncate&quot;:&quot;1&quot;,&quot;banner&quot;:&quot;&quot;,&quot;thumb_margin&quot;:&quot;8&quot;,&quot;play_icon&quot;:&quot;&quot;,&quot;youtube_play_icon&quot;:&quot;&quot;,&quot;thumb_image_size&quot;:&quot;medium&quot;,&quot;default_tab&quot;:&quot;uploads&quot;,&quot;sticky&quot;:{&quot;enable&quot;:&quot;&quot;,&quot;width&quot;:&quot;400&quot;,&quot;position&quot;:&quot;bottom-right&quot;,&quot;only_above&quot;:&quot;768&quot;,&quot;margin&quot;:&quot;12&quot;},&quot;player&quot;:{&quot;show_desc&quot;:&quot;&quot;,&quot;show_meta&quot;:&quot;&quot;},&quot;menu&quot;:&quot;1&quot;,&quot;rating_style&quot;:&quot;NaN&quot;,&quot;rtl&quot;:false}}\" data-yrc-setup=\"\"><\/div>\r\n\t\t\t<script data-cfasync=\"false\" type=\"text\/javascript\">\r\n\t\t\t\tif( !window.YRC ) var YRC = {Data:{}};\r\n\t\t\t\tYRC.Data[\"6a24c63f09a10\"] = {\"uploads\":{\"fetched_at\":1780777939,\"nextPageToken\":\"CAQQAA\",\"pageInfo\":{\"totalResults\":31,\"resultsPerPage\":4},\"items\":[{\"kind\":\"youtube#searchResult\",\"id\":\"Rs0at4E0a4U\",\"snippet\":{\"publishedAt\":\"2025-04-16T11:00:08Z\",\"channelId\":\"UCkxlxpwH0D0k_Vq5IWtleCQ\",\"title\":\"DFT for Superconductors: theory and implementation in the SIESTA code (R. Reho)\",\"description\":\"Superconductivity is one of the most captivating quantum phenomena, offering a potential solution for the increasing societal demand of sustainable energy resources. Superconducting density functional theory (SCDFT) [1] is a theoretical framework that combines density functional theory (DFT) [2, 3] with the Bogoliubov\\u2014de Gennes (BdG) formalism [4]. SCDFT allows for a general form of the pairing interaction and, hence, can describe normal\\\/superconductor interfaces and unconventional superconductors, in addition to conventional ones [5]. In this talk, we present SIESTA\\u2014BdG [5], an implementation of the semi-phenomenological SCDFT approach of Suvasini et al. [6, 7] in the SIESTA method [8]. We demonstrate the accuracy and efficiency of our implementation in predicting physically relevant quantities (superconducting charge density, band structure, superconducting gap, density of states) for conventional (Pb, Nb), and unconventional (FeSe) superconductors. Moreover, we apply this method to a semiconductor\\u2014superconductor (SM\\u2014SC) hybrid devices composed of PbTe and Pb. These devices have been proposed as promising platforms for detecting and analyzing Majorana zero modes [9]. We focus on the interfacial properties, discussing the conditions required for the emergence of Majorana Zero modes. Lastly, we show how the SIESTA-BdG forms the basis for modelling quantum transport in superconducting devices. \\n\\nReferences 1. Oliveira, L. N., Gross, E. K. U. & Kohn, W. Density-Functional Theory for Superconductors. Physical Review Letters 60, 2430\\u20132433. issn: 0031-9007 (2022) (June 1988). 2. Hohenberg, P. & Kohn, W. Inhomogeneous electron gas. Physical review 136, B864 (1964). 3. Kohn, W. & Sham, L. J. Self-consistent equations including exchange and correlation effects. Physical review 140, A1133 (1965). 4. Bogoljubov, N., Tolmachov, V. V. & \\u0160irkov, D. A new method in the theoryof superconductivity. Fortschritte der physik 6, 605\\u2013682 (1958). 5. R. Reho, N. Wittemeier, A. H. Kole, P. Ordej\\u00f3n, and Z. Zanolli. Density functional bogoliubov-de gennes theory for superconductors implemented in the siesta code. Phys. Rev. B, 110:134505, Oct 2024 6. Suvasini, M. & Gyorffy, B. A Multiple Scattering Method for Solving Bogoliubov-de Gennes Equations of Superconductivity. Physica C: Superconductivity 195, 109\\u2013126. issn: 09214534. (2022) (May 1992). 7. Suvasini, M. B., Temmerman, W. M. & Gyorffy, B. L. Computational aspects of density-functional theories of superconductors. Phys. Rev. B 48, 1202\\u20131210 (2 July 1993). 8. Soler, J. M. et al. The SIESTA Method for Ab Initio Order- N Materials Simulation. Journal of Physics: Condensed Matter 14, 2745\\u20132779. issn:0953-8984, 1361-648X. (2021) (Mar. 2002). 9. R. Reho, A. R. Botello-M\\u00e9ndez, and\",\"thumbnails\":{\"default\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/Rs0at4E0a4U\\\/default.jpg\",\"width\":120,\"height\":90},\"medium\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/Rs0at4E0a4U\\\/mqdefault.jpg\",\"width\":320,\"height\":180},\"high\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/Rs0at4E0a4U\\\/hqdefault.jpg\",\"width\":480,\"height\":360}},\"channelTitle\":\"European Theoretical Spectroscopy Facility - ETSF\",\"liveBroadcastContent\":\"none\",\"publishTime\":\"2025-04-16T11:00:08Z\"},\"contentDetails\":{\"duration\":\"PT57M27S\",\"dimension\":\"2d\",\"definition\":\"sd\",\"caption\":\"false\",\"licensedContent\":false,\"contentRating\":{},\"projection\":\"rectangular\"},\"statistics\":{\"viewCount\":\"233\",\"likeCount\":\"6\",\"favoriteCount\":\"0\",\"commentCount\":\"0\"}},{\"kind\":\"youtube#searchResult\",\"id\":\"J9E8lVpccso\",\"snippet\":{\"publishedAt\":\"2025-04-16T10:54:49Z\",\"channelId\":\"UCkxlxpwH0D0k_Vq5IWtleCQ\",\"title\":\"Multiscale Approaches for Computational Spectroscopy of Complex Systems (T. Giovannini)\",\"description\":\"The theoretical description of large molecular systems in the condensed phase at a high level of accuracy is particularly challenging, due to the large number of degrees of freedom (both electronic and nuclear) that need to be treated. However, for molecular systems embedded in an external environment, such complexity can be drastically reduced by partitioning the total system into smaller, interacting subsystems, with a special focus on a specific portion [1-3]. The theoretical approaches developed within this framework belong to the family of focused models [1-3] and are indeed valuable tools used to bridge the gap between theory and experiment. In the most widely used multiscale focused models, the target moiety is treated at the quantum mechanical (QM) level, while the environment is atomistically described at a lower level of sophistication either classically (QM\\\/Molecular Mechanics \\u2013 QM\\\/MM [2,3]) or at the QM level (quantum embedding [4]). In this seminar, I will present and discuss recent developments in the context of QM\\\/MM [3] and quantum embedding approaches defined in the framework of multilevel methodologies [5,6]. In this talk, I will focus on the application of such approaches to the computational spectroscopy of solutions characterized by specific solute-solvent interactions, such as hydrogen bonding. The accuracy of the methods will be analyzed for selected test cases by also comparing the numerical results with available experimental data [3,6-8]. \\n\\nReferences [1] J. Tomasi, B. Mennucci, R. Cammi. Chem. Rev. 2005, 105, 2999. [2] H. M. Senn, W. Thiel. Angew. Chem., Int. Ed. 2009, 48, 1198. [3] T. Giovannini, F. Egidi, C. Cappeli. Chem. Soc. Rev. 2020, 49, 5664. [4] T. A. Wesolowski, S. Shedge, X. Zhou. Chem. Rev. 2015, 115, 5891\\u20135928. [5] G. Marrazzini, T. Giovannini, et al. J. Chem. Theory Comput. 2021, 17, 791. [6] T. Giovannini, G Marrazzini, M. Scavino, H. Koch, C. Cappelli. J. Chem. Theory Comput. 2023, 19, 1446. [7] T. Giovannini, M. Scavino, H. Koch. J. Chem. Theory Comput. 2024, 20, 3601. [8] L. Goletto, S. G\\u00f3mez, J.H. Andersen, H. Koch, T. Giovannini. Phys. Chem. Chem. Phys. 2022, 24, 27866.\",\"thumbnails\":{\"default\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/J9E8lVpccso\\\/default.jpg\",\"width\":120,\"height\":90},\"medium\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/J9E8lVpccso\\\/mqdefault.jpg\",\"width\":320,\"height\":180},\"high\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/J9E8lVpccso\\\/hqdefault.jpg\",\"width\":480,\"height\":360}},\"channelTitle\":\"European Theoretical Spectroscopy Facility - ETSF\",\"liveBroadcastContent\":\"none\",\"publishTime\":\"2025-04-16T10:54:49Z\"},\"contentDetails\":{\"duration\":\"PT58M23S\",\"dimension\":\"2d\",\"definition\":\"sd\",\"caption\":\"false\",\"licensedContent\":false,\"contentRating\":{},\"projection\":\"rectangular\"},\"statistics\":{\"viewCount\":\"41\",\"likeCount\":\"1\",\"favoriteCount\":\"0\",\"commentCount\":\"0\"}},{\"kind\":\"youtube#searchResult\",\"id\":\"gQd-fTlxapE\",\"snippet\":{\"publishedAt\":\"2024-07-05T08:22:46Z\",\"channelId\":\"UCkxlxpwH0D0k_Vq5IWtleCQ\",\"title\":\"Quantum Nuclear Dynamics in SrTiO3 with THz Pump-Probe First-Principles Simulations (L. Monacelli)\",\"description\":\"Advancements in laser technology have unlocked the potential to observe the real-time dynamics of nuclei on the femtosecond scale. Strontium titanate (SrTiO3) presents a unique case as a quantum paraelectric material, characterized by its near-ferroelectric transition at low temperatures, which is inhibited by quantum nuclear fluctuations. In this study, we simulate from first principles the time-resolved quantum nuclear dynamics of SrTiO3 under pulsed THz radiation targeting the mode responsible for ferroelectricity. Our novel first-principles approach based on the Time-Dependent Self-Consistent Harmonic Approximation (TD-SCHA)[1] not only accurately replicates the spectral features identified in time-resolved X-ray signals (like energy upconversion[2]) without any fitted parameter, but also reveals the complex energy redistribution processes among all modes following phonon-phonon scattering. 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B 103, 104305 (2021) \\n[2] M Kozina et al, Nat Phys, 15, 387 (2019) \\n[3] T F Nova et al, Science, 364, 1075 (2019) \\n[4] X Li et al, Science, 364, 1079 (2019)\",\"thumbnails\":{\"default\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/gQd-fTlxapE\\\/default.jpg\",\"width\":120,\"height\":90},\"medium\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/gQd-fTlxapE\\\/mqdefault.jpg\",\"width\":320,\"height\":180},\"high\":{\"url\":\"https:\\\/\\\/i.ytimg.com\\\/vi\\\/gQd-fTlxapE\\\/hqdefault.jpg\",\"width\":480,\"height\":360}},\"channelTitle\":\"European Theoretical Spectroscopy Facility - ETSF\",\"liveBroadcastContent\":\"none\",\"publishTime\":\"2024-07-05T08:22:46Z\"},\"contentDetails\":{\"duration\":\"PT38M22S\",\"dimension\":\"2d\",\"definition\":\"sd\",\"caption\":\"false\",\"licensedContent\":false,\"contentRating\":{},\"projection\":\"rectangular\"},\"statistics\":{\"viewCount\":\"121\",\"likeCount\":\"5\",\"favoriteCount\":\"0\",\"commentCount\":\"0\"}},{\"kind\":\"youtube#searchResult\",\"id\":\"c_E95lE83Uc\",\"snippet\":{\"publishedAt\":\"2024-07-05T08:18:26Z\",\"channelId\":\"UCkxlxpwH0D0k_Vq5IWtleCQ\",\"title\":\"Theoretical approach of strong-field light-matter interaction (M. Labeye)\",\"description\":\"A wide variety of phenomena can be observed when light interacts with matter. In this talk I will describe some of the processes that can be observed when the intensity of the light gets very large, like tunnel ionization and high-order harmonic generation. 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