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Authors: Elixabete Rezabal, David de Sancho, Elena Formoso
Title: Solute–Solvent Interactions in Choline–Geranate: Structure and Solvation Pattern of a Collagen-Mimetic Peptide
Type of contribution: Póster
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
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Authors: Mario Piris
Title: Pushing the boundaries of Natural Orbital Functional Theory.
Type of contribution: Invited Talk
Conference name: Quo Vadis Electronic Structure Theory (QVEST-25)
Location/Venue: Tegernsee, Bavarian Alps, Germany / Max Planck Society’s Ringberg castle
Start date: 21/09/2025
End date: 24/09/2025
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Authors: Eduard Matito
Title: Modern Density Functionals Approximations are ill-designed to compute vibrational properties
Type of contribution: Invited Talk
Conference name: Quo Vadis Electronic Structure Theory (QVEST-25)
Location/Venue: Tegernsee, Bavarian Alps, Germany / Max Planck Society’s Ringberg castle
Start date: 21/09/2025
End date: 24/09/2025
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Authors: Mario Piris
Title: Pushing the boundaries of Natural Orbital Functional Theory.
Type of contribution: Talk
Conference name: European Conference in Computational & Theoretical Chemistry (EuChemSCompChem2025)
Location/Venue: Naples, Italy / Conference Center, University of Naples Federico II Complesso Universitario di Monte Sant’Angelo
Start date: 15/09/2025
End date: 19/09/2025
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Authors: Mario Piris
Title: Advancing NOF Theory: Strong Correlation, Dynamics, Excited States and Quantum Computing
Type of contribution: Talk
Conference name: Psi-K Conference (Psi-K 2025)
Location/Venue: Lausanne, Switzerland / SwissTech Convention Center, EPFL
Start date: 25/08/2025
End date: 28/08/2025
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Authors: Julen Aduriz-Arrizabalaga, David de Sancho, Xabier Lopez
Title: Theoretical Investigations of Mixed Stereochemistry Macrocycles for Helix Peptide Stabilization.
Type of contribution: Poster
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Dulce Consuelo Guzman Ocampo, Laura Dominguez
Title: Unravelling the inherent dynamics of γ-secretase activity.
Type of contribution: Poster
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Eduard Matito, Andrei Paulau, Pedro Salvador, Josep M. Luis, Eloy Ramos-Cordoba
Title: Modern Density Functional Approximations are Ill-designed to Compute Vibrational Properties.
Type of contribution: Talk
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Joan Grebol, Eduard Matito, Pedro Salvador
Title: ESIpy: An open-source Python Package for Aromaticity Indicators.
Type of contribution: Poster
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Guillem Vila-Siles, Josep M. Luis, Eduard Matito
Title: Nonlinear optical properties in polyacetylenechains. A comparative computational analysis.
Type of contribution: Poster
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Javier Dominguez, Eduard Matito
Title: Analysis of Local Descriptors of Dynamic Correlation.
Type of contribution: Poster
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Asier Urriolabeitia, Xabier Lopez, David De Sancho
Title: Non-covalent interaction analysis in protein folding trajectories.
Type of contribution: Poster
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Juan Felipe Huan Lew Yee, Mario Piris
Title: Natural Orbital Functional Theory for Quantum Chemistry and Quantum Computing.
Type of contribution: Poster
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Mario Piris
Title: Expanding the Frontiers of Natural Orbital Functional Theory.
Type of contribution: Invited Talk
Conference name: WATOC 2025
Location/Venue: Oslo, Norway / Oslo Kongressenter
Start date: 22/06/2025
End date: 27/06/2025
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Authors: Mario Piris
Title: Expanding the Frontiers of NOFs: Large Strongly Correlated Systems, Direct-Dynamics Simulations, and Quantum Computing.
Type of contribution: Invited Talk
Conference name: 64th Sanibel Symposium
Location/Venue: St Augustine Beach, Florida, USA / Embassy Suites by Hilton hotel
Start date: 23/02/2025
End date: 28/02/2025
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Authors: Eduard Matito, Joan Grèbol, Pedro Salvador
Title: Efficient Assessment of Aromaticity through Electron-Delocalization Metrics
Type of contribution: Invited Talk
Conference name: Aromaticity 2025
Location/Venue: Mérida, Mexico / Mayan World Museum of Mérida
Start Date: 27/01/2025
End Date: 30/01/2025
