Theses

• 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”.