2023 Stefano Falletta“Self-interaction and polarons in density functional theory”.
2021 Thomas Bischoff“Nonempirical hybrid functionals for advanced electronic-structure calculations”.
2020 Patrick Gono“Computational modeling of the oxygen evolution reaction at semiconductor-water interfaces: A path towards breaking linear scaling relationships”.
2019 Zhendong Guo “Alignment of energy levels in amorphous oxides and at semiconductor-water interfaces”.
2015 Davide Colleoni “Origin of Fermi-level pinning at GaAs/oxide interfaces through the hybrid functional study of defects”.
2012 Jan Felix Binder“Electronic and structural properties of the Ge/GeO2 interface through hybrid functionals”.
2008 Fabien Devynck“First-principles study of defects at the SiC/SiO2 interface through hybrid functionals”.
2007 Luigi Giacomazzi“First principles vibrational spectra of tetrahedrally-bonded glasses : SiO2, GeO2 and GeSe2“.
2005 Feliciano Giustino“Infrared properties of the Si-SiO2 interface from first principles”.
2003 Angelo Bongiorno“Simulation of atomistic processes during silicon oxidation”.
2003 Paolo Umari “Raman spectra of disordered oxides from first principles”.
