The current research activities concerns:
-Implementation of new computational algorithms and applications to the study of the electronic structure of molecular systems containing heavy elements in the framework of the development of the full relativistic code BERTHA.
-Development and applications of novel methods of the analysis of the chemical bond based on fundamental observables such as the variation of the electronic density.
- Development of new method to describe molecules in (very) strong external field.
From 2019 Researcher at Istituto di Scienze e Tecnologie Chimiche del CNR “G. Natta” (CNR-SCITEC), Perugia, Italy.
2011-2019 Researcher at Istituto di Scienze e Tecnologie Molecolari del CNR (CNR-ISTM), Perugia, Italy.
2003 – 2006 University of Perugia, Chemistry Department Ph.D. in Physical and Theoretical Chemistry. Thesis Title “Dirac-Kohn-Sham approach to the study of the electronic structure of molecular systems containing heavy atoms”. PhD award 27/01/2006
1997 – 2002 University of Perugia, Chemistry Department, Master Degree in Chemistry (top marks) Thesis in theoretical chemistry under the supervision of Prof. Francesco Tarantelli.
National Grant FIRB-FUTURO in RICERCA 2010. Novel Au(I)based molecular catalysts: from know-how to know-why. Coordinator (PI).
Catalysis, Relativistic effects, DFT, Chemical Bond