Electronic Structure of Materials: Theory and Simulation

Our field of interest is the computational physics of condensed matter at various levels.

The group is involved in computational experiments making massive use of atomic-scale numerical simulations of real materials using a first principle approach. Nowadays, these simulations are not only an essential key for interpreting experimental results; thanks to their increasingly reliable predictive power, they are also of great help to technology for predicting the properties of materials and of physical/chemical processes, in the phases leading to the design of new materials or new processes. The systems studied are mainly: interfaces, surfaces, hetero- and nanostructures; semiconductors; semi-metals for spintronic applications; metallic surfaces, adsorbates, heterogeneous catalysis.

For some subjects, such as, for instance, surface physics and heterogeneous catalysis, there is a strong collaboration with experimental groups, from this Department and other local research Institutions.

Head of Research Group
Head: 
Maria Peressi

Info

Last update: 06-21-2024 - 18:49