Our scientific interest is related to the first principles investigation of electronic, optical, vibrational and structural properties of solids, surfaces, interfaces, low-dimensional systems and systems in solutions.

Our research activity deals both with the application of state-of-the-art packages for (TD)DFT calculations to interesting physical systems, and with the development and the implementation of original methods for the evaluation of the electron and thermal transport and of spectroscopies for high throughput characterization and design of complex materials for optoelectronics and energy applications.

Research themes:
* Complex materials for energy
* Molecular systems and hybrid interfaces
* Material analysis