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 ».
