CORDIS Project
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This project aims to develop a new computational method for studying the dynamics of electrons and nuclei in complex systems. It seeks to improve the accuracy and efficiency of modeling nonadiabatic molecular dynamics using a novel mathematical framework.
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 s…
MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
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