{"id":19414,"date":"2023-03-04T10:59:00","date_gmt":"2023-03-04T09:59:00","guid":{"rendered":"https:\/\/www.ehu.eus\/chemistry\/theory\/?p=19414"},"modified":"2025-10-02T15:46:43","modified_gmt":"2025-10-02T13:46:43","slug":"2025-2","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/2025-2\/","title":{"rendered":"2025 (Total=16)"},"content":{"rendered":"<ul>\n<li>\nAuthors: <strong>Elixabete Rezabal, David de Sancho, Elena Formoso<\/strong><br \/>\nTitle: Solute\u2013Solvent Interactions in Choline\u2013Geranate: Structure and Solvation Pattern of a Collagen-Mimetic Peptide<br \/>\nType of contribution: P\u00f3ster<br \/>\nConference name: VIII International Conference on Ionic Liquid-based Materials (ILMAT 2025)<br \/>\nLocation\/Venue: Rome, Italy \/ Consiglio Nazionale delle Ricerche<br \/>\nStart date: 08\/09\/2025<br \/>\nEnd date: 12\/09\/2025\n<\/li>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Pushing the boundaries of Natural Orbital Functional Theory.<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: Quo Vadis Electronic Structure Theory (QVEST-25)<br \/>\nLocation\/Venue: Tegernsee, Bavarian Alps, Germany \/ Max Planck Society&#8217;s Ringberg castle<br \/>\nStart date: 21\/09\/2025<br \/>\nEnd date: 24\/09\/2025\n<\/li>\n<li>\nAuthors: <strong>Eduard Matito<\/strong><br \/>\nTitle: Modern Density Functionals Approximations are ill-designed to compute vibrational properties<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: Quo Vadis Electronic Structure Theory (QVEST-25)<br \/>\nLocation\/Venue: Tegernsee, Bavarian Alps, Germany \/ Max Planck Society&#8217;s Ringberg castle<br \/>\nStart date: 21\/09\/2025<br \/>\nEnd date: 24\/09\/2025\n<\/li>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Pushing the boundaries of Natural Orbital Functional Theory.<br \/>\nType of contribution: Talk<br \/>\nConference name: European Conference in Computational &#038; Theoretical Chemistry (EuChemSCompChem2025)<br \/>\nLocation\/Venue: Naples, Italy \/ Conference Center, University of Naples Federico II Complesso Universitario di Monte Sant\u2019Angelo<br \/>\nStart date: 15\/09\/2025<br \/>\nEnd date: 19\/09\/2025\n<\/li>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Advancing NOF Theory: Strong Correlation, Dynamics, Excited States and Quantum Computing<br \/>\nType of contribution: Talk<br \/>\nConference name: Psi-K Conference (Psi-K 2025)<br \/>\nLocation\/Venue: Lausanne, Switzerland \/ SwissTech Convention Center, EPFL<br \/>\nStart date: 25\/08\/2025<br \/>\nEnd date: 28\/08\/2025\n<\/li>\n<li>\nAuthors: Julen Aduriz-Arrizabalaga, David de Sancho, <strong>Xabier Lopez<\/strong><br \/>\nTitle: Theoretical Investigations of Mixed Stereochemistry Macrocycles for Helix Peptide Stabilization.<br \/>\nType of contribution: Poster<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Dulce Consuelo Guzman Ocampo<\/strong>, Laura Dominguez<br \/>\nTitle: Unravelling the inherent dynamics of \u03b3-secretase activity.<br \/>\nType of contribution: Poster<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Eduard Matito<\/strong>, Andrei Paulau, Pedro Salvador, Josep M. Luis, Eloy Ramos-Cordoba<br \/>\nTitle: Modern Density Functional Approximations are Ill-designed to Compute Vibrational Properties.<br \/>\nType of contribution: Talk<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Joan Grebol<\/strong>, Eduard Matito, Pedro Salvador<br \/>\nTitle: ESIpy: An open-source Python Package for Aromaticity Indicators.<br \/>\nType of contribution: Poster<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Guillem Vila-Siles<\/strong>, Josep M. Luis, Eduard Matito<br \/>\nTitle: Nonlinear optical properties in polyacetylenechains. A comparative computational analysis.<br \/>\nType of contribution: Poster<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Javier Dominguez<\/strong>, Eduard Matito<br \/>\nTitle: Analysis of Local Descriptors of Dynamic Correlation.<br \/>\nType of contribution: Poster<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Asier Urriolabeitia<\/strong>, Xabier Lopez, David De Sancho<br \/>\nTitle: Non-covalent interaction analysis in protein folding trajectories.<br \/>\nType of contribution: Poster<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Juan Felipe Huan Lew Yee<\/strong>, Mario Piris<br \/>\nTitle: Natural Orbital Functional Theory for Quantum Chemistry and Quantum Computing.<br \/>\nType of contribution: Poster<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Expanding the Frontiers of Natural Orbital Functional Theory.<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: WATOC 2025<br \/>\nLocation\/Venue: Oslo, Norway \/ Oslo Kongressenter<br \/>\nStart date: 22\/06\/2025<br \/>\nEnd date: 27\/06\/2025\n<\/li>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Expanding the Frontiers of NOFs: Large Strongly Correlated Systems, Direct-Dynamics Simulations, and Quantum Computing.<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 64th Sanibel Symposium<br \/>\nLocation\/Venue: St Augustine Beach, Florida, USA \/ Embassy Suites by Hilton hotel<br \/>\nStart date: 23\/02\/2025<br \/>\nEnd date: 28\/02\/2025\n<\/li>\n<li>\nAuthors: <strong>Eduard Matito<\/strong>, Joan Gr\u00e8bol, Pedro Salvador<br \/>\nTitle: Efficient Assessment of Aromaticity through Electron-Delocalization Metrics<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: Aromaticity 2025<br \/>\nLocation\/Venue: M\u00e9rida, Mexico \/ Mayan World Museum of M\u00e9rida<br \/>\nStart Date: 27\/01\/2025<br \/>\nEnd Date: 30\/01\/2025\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Authors: Elixabete Rezabal, David de Sancho, Elena Formoso Title: Solute\u2013Solvent Interactions in Choline\u2013Geranate: Structure and Solvation Pattern of a Collagen-Mimetic Peptide Type of contribution: P\u00f3ster Conference name: VIII International Conference on Ionic Liquid-based Materials (ILMAT 2025) Location\/Venue: Rome, Italy \/ Consiglio Nazionale delle Ricerche Start date: 08\/09\/2025 End date: 12\/09\/2025 Authors: Mario Piris Title: Pushing [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[78],"tags":[],"class_list":["post-19414","post","type-post","status-publish","format-standard","hentry","category-5_kt-seminars"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/19414","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/comments?post=19414"}],"version-history":[{"count":42,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/19414\/revisions"}],"predecessor-version":[{"id":20162,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/19414\/revisions\/20162"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=19414"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=19414"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=19414"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}