Keywords:
Computational Chemistry
Theoretical Spectroscopy
Chemical and Photochemical Reactivity
Allosteric Mechanisms
Ab-initio Methods
Molecular Dynamics
Network Analysis
Hybrid QM/MM methods
Our research activity involves application and development of computational tools for fundamental understanding of chemical and photochemical processes, with a focus on biology, catalysis and biomimetic systems. The research work involves strong collaboration with experimental groups, aiming at a rigorous interpretation of physico-chemical properties and experimental spectroscopic evidences, for in silico the design of new molecules and materials.
