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Associate Professor at the University of Bologna
Full Professor at the University of Vienna
Computational Quantum Materials
Theoretical understanding and computational modeling of quantum materials (bulk and surfaces) using quantum mechanical first principles methodologies. Quantum Materials is a broad concept in condensed matter beyond strongly correlated electron systems, including: Mott physics, polaron physics, topological phases, non-collinear magnetism, excitons, multiferroism,etc.
Research Highlights:
Unravelling CO Adsorption on Model Single-Atom Catalysts,
Science 371, 375 (2021)
Osmates on the verge of a Hund’s-Mott transition: The different fates of NaOsO3 and LiOsO3,
Phys. Rev. Lett. 125, 166402 (2020)
Interplay between adsorbates and polarons: CO on rutile TiO2(110),
Phys. Rev. Lett., 112, 016805 (2019)
Projects
01/2002 H2020-MSCA-IF-2019 project BITMAP approved
aB-IniTio calculations and MAchine learning for suPerconducting collective phenomena in novel materials
Go to the Curriculum vitae