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

Specific programme: Marie Sklodowska-Curie Individual Fellowship (IF) - European Fellowship

UPV/EHU Partner Status: Beneficiary
UPV/EHU Supervisor: Angel Rubio

Project start: 01/04/2016
Project end: 31/03/2018

Brief description: The aim of the project is to develop 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.