Simone Taioli

My work is aimed at the development of novel theoretical and computational many-body methods and at using stateof-the-art ab-initio techniques mainly in three research areas. Within  the general framework of scattering theory, I investigate the interaction of light and electrons with matter for characterizing electronic and optical properties of materials. Notably, I am the main developer and maintainer of the ab-initio code SURPRISES implementing a method for calculating XPS, Auger and EELS spectra in molecules and solids. Secondly, I deal with first principles and multi-scale simulations of nanostructures (carbon-based, such as graphene, and other materials of technological relevance). In particular, I use mean-field (Hartree-Fock, Density Functional) and beyond mean-field (many-body perturbation theory, GW, TDDFT and Configuration Interaction) approaches, and multi-scale methods (molecular dynamics, Kinetic Monte Carlo) to compute electronic, optical, mechanical and thermodynamic properties of materials including their growth. Finally, I am expanding my research interests toward the application of many-body scattering techniques, typically used in condensed matter and materials science, to the field of strongly correlated materials, such as ultracold Fermi gases at unitarity and superconductors, to the beta-decay of heavy nuclei and to the nucleosynthesis of elements in stars.