My research interests are within the broad and rapidly growing field of computational
materials science. In particular, my work is application of numerical methods that are based
on the solution of the quantum-mechanical equations (i.e. from first-principles or ab initio
calculations) to explore materials for the next-generation energy applications. These
findings aim to the accurate and predictive description of the most critical structural,
electronic and optical properties of a variety of energy materials; the exploration of
surface and interface phenomena that can be key parameters for their application in
opto-electronic devices, and finally the design of new materials using state-of-the-art
computational approaches.