Classification of complex molecular systems by invariant coordinates: structure, dynamics and kinetics

16 Apr

Prof. Andrea Lombardi, Università degli Studi di Perugia

June 1-30 2024

The complex spatial arrangements and interaction networks of large molecular systems, such as biomolecules and composite materials, require a classificatory approach to ease the unveiling of hidden patterns and deep relationships between structure, dynamics and properties. In this cycle of lectures, invariant parameters and coordinates to be associated with a given molecular structure will be illustrated and applied to model systems. Theory for the application to molecular dynamics and kinetics will be also reviewed and applications to simple exemplary cases will be illustrated.