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- 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”.
