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CoEND SIGNED

Correlated Electron-Nuclear Dynamics: A novel mixed quantum-semiclassical approach

Total Cost €

0

EC-Contrib. €

0

Partnership

0

Views

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Project "CoEND" data sheet

The following table provides information about the project.

Coordinator
UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA 

Organization address
address: BARRIO SARRIENA S N
city: LEIOA
postcode: 48940
website: www.ehu.es

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Spain [ES]
 Project website http://nano-bio.ehu.es/
 Total cost 170˙121 €
 EC max contribution 170˙121 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2015
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2016
 Duration (year-month-day) from 2016-04-01   to  2018-03-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA ES (LEIOA) coordinator 170˙121.00

Map

 Project objective

The experienced researcher, Dr. Ali Abedi, 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 systems such as light-harvesting complexes. The proposed project starts with the fundamental method development based on the “exact factorization framework” recently introduced by the researcher, 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.

 Publications

year authors and title journal last update
List of publications.
2017 Elham Khosravi, Ali Abedi, Angel Rubio, Neepa T. Maitra
Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective
published pages: 8269-8281, ISSN: 1463-9076, DOI: 10.1039/C6CP08539C
Physical Chemistry Chemical Physics 19/12 2019-06-13
2016 Guillermo Albareda, Ali Abedi, Ivano Tavernelli, Angel Rubio
Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer picture
published pages: , ISSN: 2469-9926, DOI: 10.1103/physreva.94.062511
Physical Review A 94/6 2019-06-13

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