Explore the words cloud of the BeBOP project. It provides you a very rough idea of what is the project "BeBOP" about.
The following table provides information about the project.
Coordinator |
MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
Organization address contact info |
Coordinator Country | Germany [DE] |
Project website | https://www.mpsd.mpg.de/person/43392/2736 |
Total cost | 171˙460 € |
EC max contribution | 171˙460 € (100%) |
Programme |
1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility) |
Code Call | H2020-MSCA-IF-2016 |
Funding Scheme | MSCA-IF-EF-ST |
Starting year | 2017 |
Duration (year-month-day) | from 2017-10-01 to 2019-09-30 |
Take a look of project's partnership.
# | ||||
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1 | MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV | DE (MUENCHEN) | coordinator | 171˙460.00 |
The experienced researcher, Dr. Guillermo Albareda, and the host supervisor, Prof. Angel Rubio, aim at developing a new predictive and practical approach that overcomes the difficulties that current methods have to treat the correlated electron-nuclear dynamics in complex systems. Up to now, most of the methods to describe the coupled motion of electrons and nuclei have been based on the Born-Huang expansion that fails to meet the appropriate trade-off between accuracy and efficiency for large systems. Based on the “conditional decomposition” (CD) framework recently introduced by the experienced researcher, the proposed research relies on the premise that the radically different mathematical grounds of the CD approach will lead to a paradigm shift in how ab-initio nonadiabatic molecular dynamics is numerically approached. The program starts with the fundamental method development based on the CD framework, goes through a systematic performance test to reach the desired accuracy/efficiency trade-off, and will be implemented in a computational platform to be applied to study large systems such as artificial light-harvesting complexes.
year | authors and title | journal | last update |
---|---|---|---|
2018 |
Pandey, Devashish; Albareda, Guillermo; Oriols, Xavier Unmeasured Bohmian properties and their measurement through weak values published pages: , ISSN: , DOI: |
1 | 2020-02-12 |
2019 |
Josep Maria Bofill, Jordi Ribas-Ariño, Rosendo Valero, Guillermo Albareda, Ibério de P. R. Moreira, Wolfgang Quapp Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition States published pages: 5426-5439, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.8b01061 |
Journal of Chemical Theory and Computation 15/10 | 2020-02-12 |
2019 |
Devashish Pandey, Enrique Colomés, Guillermo Albareda, Xavier Oriols Stochastic Schrödinger Equations and Conditional States: A General Non-Markovian Quantum Electron Transport Simulator for THz Electronics published pages: 1148, ISSN: 1099-4300, DOI: 10.3390/e21121148 |
Entropy 21/12 | 2020-02-12 |
2019 |
Guillermo Albareda, Arnau Riera, Miguel Gonzalez, Josep Maria Bofill, Iberio de P. R Moreira, Rosendo Valero, Ivano Tavernelli Quantum equilibration of a model system Porphine published pages: , ISSN: , DOI: |
2020-02-12 | |
2019 |
Pandey, Devashish; Oriols, Xavier; Albareda, Guillermo Proposal for a clumsiness-free test of macroscopic realism published pages: , ISSN: , DOI: |
1 | 2020-02-12 |
2019 |
Guillermo Albareda, Aaron Kelly, Angel Rubio Nonadiabatic quantum dynamics without potential energy surfaces published pages: , ISSN: 2475-9953, DOI: 10.1103/PhysRevMaterials.3.023803 |
Physical Review Materials 3/2 | 2020-02-12 |
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The information about "BEBOP" are provided by the European Opendata Portal: CORDIS opendata.
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