Correlated Electron-Nuclear Dynamics: A novel mixe.. (CoEND)
Correlated Electron-Nuclear Dynamics: A novel mixed quantum-semiclassical approach
Start date: Apr 1, 2016,
End date: Mar 31, 2018
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.
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