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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
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Authors: Mario Piris
Title: Global Natural Orbital Functional
Type of contribution: Invited Talk
Conference name: Reduced Density Matrix Functional Theory: Improving its foundations (RDMFT2022)
Location/Venue: Trento, Italy / European Centre for Theoretical Studies in Nuclear Physics and related areas
Start date: 03/10/2022
End date: 14/10/2022
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Authors: S.J. Grabowski
Title: Interactions that should be classified as hydrogen bonds but are not by accepted definitions
Type of contribution: Invited Talk
Conference name: XXIV International Conference on Horizons in Hydrogen Bond Research
Location/Venue: Bilbao / Bizkaia Aretoa (University of the Basque Country, UPV/EHU, Spain)
Start date: 12/09/2022
End date: 15/09/2022
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Authors: Mario Piris
Title: Benchmarking GNOF against FCI in challenging systems
Type of contribution: Invited Talk
Conference name: 6th International Conference on Molecular Electronic Structure (MES2022)
Location/Venue: Monastir, Tunisia / Institut Supérieur d’informatique et de Mathématiques de Monastir
Start date: 03/09/2022
End date: 06/09/2022
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Authors: Mario Piris
Title: Global Natural Orbital Functional: Towards the complete description of the electron correlation
Type of contribution: Invited Talk
Conference name: 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)
Location/Venue: Vancouver, Canada / Vancouver Convention Centre
Start date: 03/07/2022
End date: 08/07/2022
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Authors: Xiang Xu, L. A. Soriano Agueda, S. Sitkiewicz, X. Lopez, E. Ramos-Cordoba, E. Matito
Title: Analysis of Dynamic and Nondyanmic Correlation Diagnostics
Type of contribution: Flash presentation
Conference name: XXXVIII REUNIÓN BIENAL DE LA SOCIEDAD ESPAÑOLA DE QUÍMICA
Location/Venue: Granada, Spain / Palacio de Congresos de Granada
Start date: 27/06/2022
End date: 30/06/2022
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Authors: Xiang Xu, L. A. Soriano Agueda, S. Sitkiewicz, X. Lopez, E. Ramos-Cordoba, E. Matito
Title: Natural-orbital based multireference diagnostic for wavefunction methods
Type of contribution: Poster
Conference name: 12th Congress on Electronic Structure: Principles and Applications
Location/Venue: Vigo, Spain / Sede Afundación Vigo
Start date: 21/06/2022
End date: 24/06/2022
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Authors: Andoni Ugartemendia, Jose M. Mercero, Abel de Cózar, Jaakko Akola, Elisa Jimenez-Izal
Title: Ge as a promoter for the catalytic oxidation of CO by Pt clusters
Type of contribution: Poster
Conference name: 12th Congress on Electronic Structure: Principles and Applications
Location/Venue: Vigo, Spain / Sede Afundación Vigo
Start date: 21/06/2022
End date: 24/06/2022
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Authors: Andoni Ugartemendia, Jose M. Mercero, Abel de Cózar, Jaakko Akola, Elisa Jimenez-Izal
Title: Ge as a promoter for the catalytic oxidation of CO by Pt clusters
Type of contribution: Invited Talk
Conference name: 9th Young Scientific Workshop on Theoretical Chemistry and Computational Modelling
Location/Venue: Vigo, Spain / Escuela de Ingeniería Industrial
Start date: 20/06/2022
End date: 20/06/2022
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Authors: Xiang Xu, L. A. Soriano Agueda, S. Sitkiewicz, X. Lopez, E. Ramos-Cordoba, E. Matito
Title: Natural-orbital based multireference diagnostic for wavefunction methods
Type of contribution: Invited Talk
Conference name: 9th Young Scientific Workshop on Theoretical Chemistry and Computational Modelling
Location/Venue: Vigo, Spain / Escuela de Ingeniería Industrial
Start date: 20/06/2022
End date: 20/06/2022
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Authors: Andoni Ugartemendia, Jose M. Mercero, Jesus M. Ugalde, Aran Garcia-Lekue, Elisa Jimenez-Izal
Title: Understanding novel catalysts through chemical bonding analysis
Type of contribution: Invited Talk
Conference name: International Conference on Chemical Bonding
Location/Venue: Kauai, HI, USA / …
Start date: 11/08/2022
End date: 16/08/2022
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Authors: Elisa Jimenez-Izal, Andoni Ugartemendia, Abel de Cózar, Jose M. Mercero
Title: Making Pt highly CO-tolerant and highly active for hydrogen oxidation
Type of contribution: Oral presentation
Conference name: International Conference on Theoretical Aspects of Catalysis (ICTAC)
Location/Venue: Lyon, France / …
Start date: 13/06/2022
End date: 17/06/2022
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Authors: Mario Piris
Title: RDM2022
Type of contribution: Organizer & Host
Conference name: International Conference on RDMT for Quantum Many-Fermion Systems
Location/Venue: Donostia – San Sebastian, Euskadi, Spain / Palacio Miramar
Start date: 15/06/2022
End date: 17/06/2022
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Authors: Eduard Matito
Title: Property and energy assessment of reduced density matrix approximations
Type of contribution: Invited Talk
Conference name: International Conference on RDMT for Quantum Many-Fermion Systems
Location/Venue: Donostia – San Sebastian, Euskadi, Spain / Palacio Miramar
Start date: 15/06/2022
End date: 17/06/2022
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Authors: Ion Mitxelena
Title: Towards a global natural orbital functional
Type of contribution: Invited Talk
Conference name: International Conference on RDMT for Quantum Many-Fermion Systems
Location/Venue: Donostia – San Sebastian, Euskadi, Spain / Palacio Miramar
Start date: 15/06/2022
End date: 17/06/2022
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Authors: Eloy Ramos-Córdoba
Title: RDM2022
Type of contribution: Session Chair
Conference name: International Conference on RDMT for Quantum Many-Fermion Systems
Location/Venue: Donostia – San Sebastian, Euskadi, Spain / Palacio Miramar
Start date: 15/06/2022
End date: 17/06/2022
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Authors: Xiang Xu
Title: Natural-orbital based multireference diagnostic for wavefunction methods
Type of contribution: Poster
Conference name: International Conference on RDMT for Quantum Many-Fermion Systems
Location/Venue: Donostia – San Sebastian, Euskadi, Spain / Palacio Miramar
Start date: 15/06/2022
End date: 17/06/2022
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Authors: José Aarón Rodríguez Jiménez
Title: Use of reduced density matrices within RASCI
Type of contribution: Poster
Conference name: International Conference on RDMT for Quantum Many-Fermion Systems
Location/Venue: Donostia – San Sebastian, Euskadi, Spain / Palacio Miramar
Start date: 15/06/2022
End date: 17/06/2022
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Authors: Xiang Xu, L. A. Soriano Agueda, S. Sitkiewicz, X. Lopez, E. Ramos-Cordoba, E. Matito
Title: Natural-orbital based multireference diagnostic for wavefunction methods
Type of contribution: Invited talk (remote)
Conference name: Math/Chem/Comp 2022, 33rd MC2 Conference
Location/Venue: Dubrovnik, Croatia/ Inter University Centre Dubrovnik (IUC)
Start date: 06/06/2022
End date: 10/06/2022
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Authors: Elisa Jimenez-Izal, Andoni Ugartemendia, Abel de Cózar, Jose M. Mercero
Title: Theoretical Design of CO-tolerant Catalysts for Fuel Cells
Type of contribution: Invited Talk
Conference name: 2nd Global Virtual Summit on Catalysis & Chemical Engineering, Virtual
Location/Venue: n/a
Start date: 14/03/2022
End date: 16/03/2022
