Post-doc at University of Turin, Italy
Revisiting the identity of ?-MgCl2: structure and properties of nano-clusters by DFT, spectroscopy and machine learning. How modelling uncovers the origin of industrial catalysis.
Post-doc at University of Turin, her research activity stands in the field of
theoretical and computational chemistry and aims at the investigation of large
dimensions systems by means of both periodic and cluster approaches. Grown up,
at first, in a group of Gaussian developers she adopted quantum mechanical approaches mostly based on Density
Functional Theory (DFT) to simulate structures, spectroscopic parameters,
electric response and magnetic behaviour. Then, in the CRYSTAL group, her
activity focused on
simulation methods for solids, mainly on surface science topics: efficient and
selective catalysts, materials for a wide range of energy, environmental and industrial
applications.
Theoretical and computational chemistry