Organizers: Luigi Delle Site, Cecilia Clementi, Sara Jand

Abstract:

Molecular modeling based on electronic properties assures the inclusion into effective models of the intrinsic quantum nature of atoms and molecules. The resulting models assure a high computational efficiency in treating large systems for long time with the minimal lost of microscopic accuracy and eventually to go back to the electronic scale. The corresponding scaling up and down of physical accuracy allows to identify the interconnection between different scales and as a consequence to pin point the relevant degrees of freedom that drive properties of systems of interest.  In this minisymposium we will see techniques and applications that realize the idea above.