Method developments

We develop methods based on quantum mechanics as well as software to understand and predict the properties of molecules and condensed systems at the microscopic scale. Method developments include electronic spectroscopies, random-phase exchange-correlation functionals, Koopmans-compliant functionals, and the many-body perturbation theory GW and BSE methods.

NL Nguyen, G Borghi, A Ferretti, I Dabo, N Marzari Physical review letters 114 (16), 166405; NL Nguyen, H Ma, M Govoni, F Gygi, G Galli Physical review letters 122 (23), 237402