My research activity is focused on the ab initio study - within the Density Functional Theory (DFT) framework and beyond (TDDFT, DFPT) - of the structural, optoelectronic, vibrational, plasmonic and transport properties of materials, nanostructures, molecules, and interfaces, for energy conversion, molecular electronics and nanotechnology applications. The 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 electronic and transport properties in nanostructure (WanT PROJECT) and spectroscopies (AFLOWpy project).