Atomistic modeling, mostly implemented in the framework of Density Functional Theory, has been
employed to investigate several problems, such as chemical and electro-catalytical processes on
alloy surfaces and supported molecular films, optical response, and ageing of materials.
ACTIVITIES:
- Modeling of self-assembled films at metal and insulator surfaces.
- Metal alloy clusters for applications in non-linear optics
- Heterogenous catalysis for sustainable energy
- Modeling of electrochemical processes for energy applications.
