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Quantum Dynamics Beyond the Born-Oppenheimer Picture: Making the most of wave function and trajectory-based approaches

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Publications

Unmeasured Bohmian properties and their measurement through weak values

Author(s): Pandey, Devashish; Albareda, Guillermo; Oriols, Xavier
Published in: 1, 2018
Publisher: arXiv

Proposal for a clumsiness-free test of macroscopic realism

Author(s): Pandey, Devashish; Oriols, Xavier; Albareda, Guillermo
Published in: 1, 2019
Publisher: arXiv

Biradical Formation by Deprotonation in Thiazole-Derivatives: The Hidden Nature of Dasatinib

Author(s): Carlos Heras Daniel Reta Rosendo Valero Guillermo Albareda Nicholas Chilton Alistair Fielding Iberio de P. R Moreira Josep Maria Bofill Francisco Lopez Calahorra
Published in: 2019
Publisher: chemrvix

Quantum equilibration of a model system Porphine

Author(s): Guillermo Albareda, Arnau Riera, Miguel Gonzalez, Josep Maria Bofill, Iberio de P. R Moreira, Rosendo Valero, Ivano Tavernelli
Published in: 2019
Publisher: arXiv

Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition States

Author(s): Josep Maria Bofill, Jordi Ribas-Ariño, Rosendo Valero, Guillermo Albareda, Ibério de P. R. Moreira, Wolfgang Quapp
Published in: Journal of Chemical Theory and Computation, 15/10, 2019, Page(s) 5426-5439, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.8b01061

Nonadiabatic quantum dynamics without potential energy surfaces

Author(s): Guillermo Albareda, Aaron Kelly, Angel Rubio
Published in: Physical Review Materials, 3/2, 2019, ISSN 2475-9953
Publisher: APS
DOI: 10.1103/PhysRevMaterials.3.023803

Stochastic Schrödinger Equations and Conditional States: A General Non-Markovian Quantum Electron Transport Simulator for THz Electronics

Author(s): Devashish Pandey, Enrique Colomés, Guillermo Albareda, Xavier Oriols
Published in: Entropy, 21/12, 2019, Page(s) 1148, ISSN 1099-4300
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/e21121148

Bohmian approaches to non-adiabatic molecular dynamics. In “Excited states: Methods for quantum chemistry and dynamics”. Editors Roland Lindh and Leticia González. Wiley

Author(s): Guillermo Albareda and Ivano Tavernelli
Published in: 2019
Publisher: John Wiley and Sons Ltd