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

Project Information

BeBOP

Grant agreement ID: 752822

DOI

10.3030/752822

Project closed

EC signature date 29 March 2017

Start date 1 October 2017

End date 30 September 2019

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 171 460,80

EU contribution

€ 171 460,80

Coordinated by

MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
Germany

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Other (4)

Unmeasured Bohmian properties and their measurement through weak values

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

Proposal for a clumsiness-free test of macroscopic realism

Author(s): Pandey, Devashish; Oriols, Xavier; Albareda, Guillermo
Published in: Issue 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

Peer reviewed articles (3)

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, Issue 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, Issue 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, Issue 21/12, 2019, Page(s) 1148, ISSN 1099-4300
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/e21121148

Book chapters (1)

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, ISBN 101119417759
Publisher: John Wiley and Sons Ltd