{"id":15935,"date":"2022-06-18T11:28:23","date_gmt":"2022-06-18T09:28:23","guid":{"rendered":"https:\/\/www.ehu.eus\/chemistry\/theory\/?p=15935"},"modified":"2023-01-09T10:20:49","modified_gmt":"2023-01-09T09:20:49","slug":"2022-2","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/2022-2\/","title":{"rendered":"2022 (Total=20)"},"content":{"rendered":"<ul>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Born-Oppenheimer molecular dynamics in NOF theory<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: Eleventh International Meeting on Photodynamics and Related Aspects (XI Photodynamics)<br \/>\nLocation\/Venue: La Habana, Cuba \/ Solidarity Room of the Tryp Habana Libre Hotel<br \/>\nStart date: 07\/11\/2022<br \/>\nEnd date: 11\/11\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Global Natural Orbital Functional<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: Reduced Density Matrix Functional Theory: Improving its foundations (RDMFT2022)<br \/>\nLocation\/Venue: Trento, Italy \/ European Centre for Theoretical Studies in Nuclear Physics and related areas<br \/>\nStart date: 03\/10\/2022<br \/>\nEnd date: 14\/10\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: Interactions that should be classified as hydrogen bonds but are not by accepted definitions<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: XXIV International Conference on Horizons in Hydrogen Bond Research<br \/>\nLocation\/Venue: Bilbao \/ Bizkaia Aretoa (University of the Basque Country, UPV\/EHU, Spain)<br \/>\nStart date: 12\/09\/2022<br \/>\nEnd date: 15\/09\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Benchmarking GNOF against FCI in challenging systems<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 6th International Conference on Molecular Electronic Structure (MES2022)<br \/>\nLocation\/Venue: Monastir, Tunisia \/ Institut Sup\u00e9rieur d&#8217;informatique et de Math\u00e9matiques de Monastir<br \/>\nStart date: 03\/09\/2022<br \/>\nEnd date: 06\/09\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Mario Piris<\/strong><br \/>\nTitle: Global Natural Orbital Functional: Towards the complete description of the electron correlation<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)<br \/>\nLocation\/Venue: Vancouver, Canada \/ Vancouver Convention Centre<br \/>\nStart date: 03\/07\/2022<br \/>\nEnd date: 08\/07\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Xiang Xu<\/strong>, L. A. Soriano Agueda, S. Sitkiewicz, X. Lopez, E. Ramos-Cordoba, E. Matito<br \/>\nTitle: Analysis of Dynamic and Nondyanmic Correlation Diagnostics<br \/>\nType of contribution: Flash presentation<br \/>\nConference name: XXXVIII REUNI\u00d3N BIENAL DE LA SOCIEDAD ESPA\u00d1OLA DE QU\u00cdMICA<br \/>\nLocation\/Venue: Granada, Spain \/ Palacio de Congresos de Granada<br \/>\nStart date: 27\/06\/2022<br \/>\nEnd date: 30\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Xiang Xu<\/strong>, L. A. Soriano Agueda, S. Sitkiewicz, X. Lopez, E. Ramos-Cordoba, E. Matito<br \/>\nTitle: Natural-orbital based multireference diagnostic for wavefunction methods<br \/>\nType of contribution: Poster<br \/>\nConference name: 12th Congress on Electronic Structure: Principles and Applications<br \/>\nLocation\/Venue: Vigo, Spain \/ Sede Afundaci\u00f3n Vigo<br \/>\nStart date: 21\/06\/2022<br \/>\nEnd date: 24\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Andoni Ugartemendia<\/strong>, Jose M. Mercero, Abel de C\u00f3zar, Jaakko Akola, Elisa Jimenez-Izal<br \/>\nTitle: Ge as a promoter for the catalytic oxidation of CO by Pt clusters<br \/>\nType of contribution: Poster<br \/>\nConference name: 12th Congress on Electronic Structure: Principles and Applications<br \/>\nLocation\/Venue: Vigo, Spain \/ Sede Afundaci\u00f3n Vigo<br \/>\nStart date: 21\/06\/2022<br \/>\nEnd date: 24\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Andoni Ugartemendia<\/strong>, Jose M. Mercero, Abel de C\u00f3zar, Jaakko Akola, Elisa Jimenez-Izal<br \/>\nTitle: Ge as a promoter for the catalytic oxidation of CO by Pt clusters<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 9th Young Scientific Workshop on Theoretical Chemistry and Computational Modelling<br \/>\nLocation\/Venue: Vigo, Spain \/ Escuela de Ingenier\u00eda Industrial<br \/>\nStart date: 20\/06\/2022<br \/>\nEnd date: 20\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Xiang Xu<\/strong>, L. A. Soriano Agueda, S. Sitkiewicz, X. Lopez, E. Ramos-Cordoba, E. Matito<br \/>\nTitle: Natural-orbital based multireference diagnostic for wavefunction methods<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 9th Young Scientific Workshop on Theoretical Chemistry and Computational Modelling<br \/>\nLocation\/Venue: Vigo, Spain \/ Escuela de Ingenier\u00eda Industrial<br \/>\nStart date: 20\/06\/2022<br \/>\nEnd date: 20\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Andoni Ugartemendia, Jose M. Mercero, Jesus M. Ugalde, Aran Garcia-Lekue, <strong>Elisa Jimenez-Izal<\/strong><br \/>\nTitle: Understanding novel catalysts through chemical bonding analysis<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: International Conference on Chemical Bonding<br \/>\nLocation\/Venue: Kauai, HI, USA \/ &#8230;<br \/>\nStart date: 11\/08\/2022<br \/>\nEnd date: 16\/08\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Elisa Jimenez-Izal<\/strong>, Andoni Ugartemendia, Abel de C\u00f3zar, Jose M. Mercero<br \/>\nTitle: Making Pt highly CO-tolerant and highly active for hydrogen oxidation<br \/>\nType of contribution: Oral presentation<br \/>\nConference name: International Conference on Theoretical Aspects of Catalysis (ICTAC)<br \/>\nLocation\/Venue: Lyon, France \/ &#8230;<br \/>\nStart date: 13\/06\/2022<br \/>\nEnd date: 17\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong> Mario Piris <\/strong><br \/>\nTitle: RDM2022<br \/>\nType of contribution: Organizer &amp; Host<br \/>\nConference name: International Conference on RDMT for Quantum Many-Fermion Systems<br \/>\nLocation\/Venue: Donostia &#8211; San Sebastian, Euskadi, Spain \/ Palacio Miramar<br \/>\nStart date: 15\/06\/2022<br \/>\nEnd date: 17\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong> Eduard Matito <\/strong><br \/>\nTitle: Property and energy assessment of reduced density matrix approximations<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: International Conference on RDMT for Quantum Many-Fermion Systems<br \/>\nLocation\/Venue: Donostia &#8211; San Sebastian, Euskadi, Spain \/ Palacio Miramar<br \/>\nStart date: 15\/06\/2022<br \/>\nEnd date: 17\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong> Ion Mitxelena <\/strong><br \/>\nTitle: Towards a global natural orbital functional<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: International Conference on RDMT for Quantum Many-Fermion Systems<br \/>\nLocation\/Venue: Donostia &#8211; San Sebastian, Euskadi, Spain \/ Palacio Miramar<br \/>\nStart date: 15\/06\/2022<br \/>\nEnd date: 17\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong> Eloy Ramos-C\u00f3rdoba <\/strong><br \/>\nTitle: RDM2022<br \/>\nType of contribution: Session Chair<br \/>\nConference name: International Conference on RDMT for Quantum Many-Fermion Systems<br \/>\nLocation\/Venue: Donostia &#8211; San Sebastian, Euskadi, Spain \/ Palacio Miramar<br \/>\nStart date: 15\/06\/2022<br \/>\nEnd date: 17\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong> Xiang Xu <\/strong><br \/>\nTitle: Natural-orbital based multireference diagnostic for wavefunction methods<br \/>\nType of contribution: Poster<br \/>\nConference name: International Conference on RDMT for Quantum Many-Fermion Systems<br \/>\nLocation\/Venue: Donostia &#8211; San Sebastian, Euskadi, Spain \/ Palacio Miramar<br \/>\nStart date: 15\/06\/2022<br \/>\nEnd date: 17\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong> Jos\u00e9 Aar\u00f3n Rodr\u00edguez Jim\u00e9nez <\/strong><br \/>\nTitle: Use of reduced density matrices within RASCI<br \/>\nType of contribution: Poster<br \/>\nConference name: International Conference on RDMT for Quantum Many-Fermion Systems<br \/>\nLocation\/Venue: Donostia &#8211; San Sebastian, Euskadi, Spain \/ Palacio Miramar<br \/>\nStart date: 15\/06\/2022<br \/>\nEnd date: 17\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Xiang Xu<\/strong>, L. A. Soriano Agueda, S. Sitkiewicz, X. Lopez, E. Ramos-Cordoba, E. Matito<br \/>\nTitle: Natural-orbital based multireference diagnostic for wavefunction methods<br \/>\nType of contribution: Invited talk (remote)<br \/>\nConference name: Math\/Chem\/Comp 2022, 33rd MC2 Conference<br \/>\nLocation\/Venue: Dubrovnik, Croatia\/ Inter University Centre Dubrovnik (IUC)<br \/>\nStart date: 06\/06\/2022<br \/>\nEnd date: 10\/06\/2022<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Elisa Jimenez-Izal<\/strong>, Andoni Ugartemendia, Abel de C\u00f3zar, Jose M. Mercero<br \/>\nTitle: Theoretical Design of CO-tolerant Catalysts for Fuel Cells<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 2nd Global Virtual Summit on Catalysis &amp; Chemical Engineering, Virtual<br \/>\nLocation\/Venue: n\/a<br \/>\nStart date: 14\/03\/2022<br \/>\nEnd date: 16\/03\/2022<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Authors: Mario Piris Title: Born-Oppenheimer molecular dynamics in NOF theory Type of contribution: Invited Talk Conference name: Eleventh International Meeting on Photodynamics and Related Aspects (XI Photodynamics) Location\/Venue: La Habana, Cuba \/ Solidarity Room of the Tryp Habana Libre Hotel Start date: 07\/11\/2022 End date: 11\/11\/2022 Authors: Mario Piris Title: Global Natural Orbital Functional Type [&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-15935","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\/15935","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=15935"}],"version-history":[{"count":27,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/15935\/revisions"}],"predecessor-version":[{"id":16574,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/15935\/revisions\/16574"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=15935"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=15935"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=15935"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}