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

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.

Coordinator

UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA
Net EU contribution
€ 170 121,60
Address
BARRIO SARRIENA S N
48940 Leioa
Spain

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Region
Noreste País Vasco Gipuzkoa
Activity type
Higher or Secondary Education Establishments
Links
Total cost
€ 170 121,60