Vincenzo Barone

Born November 8, 1952 in Ancona, Italy.

Professore di Chimica Teorica e Computazionale Scuola Normale Superiore di Pisa. On June, 15th 2016, Vincenzo Barone has been appointed as Director of the Scuola Normale Superiore, the most prestigious italian University, for the period 2016-2020, starting from November, 1st 2016.

Email:vincenzo.barone@sns.it
Web: external link

Author of:

Important Contributions:

• Density functional theory: development and validation of PBE0 and mPW1PW hybrid density functionals; validation of the DFT theory for the study of spectroscopic properties of molecules, with special reference to EPR, UV, NMR, IR parameters (with C. Adamo, O. Crescenzi).
• Solvation theory: improvement of the Polarizable Continuum Model for the calculation of solvation free energies, implementation of analytical first and second derivatives, extension of the model to the study of excited states via CASSCF and TD-DFT calculations; linear scaling implementations; development of mixed discrete-continuum models; implementation of the GLOB model for ab-initio dynamics with non periodic boundary conditions (with M. Cossi, N. Rega).
• Computational Spectroscopy: new basis sets for ESR parameters; integrated approaches for line-shapes; effective Hamiltonians for treating large amplitude nuclear motions; anharmonic contributions by perturbative and variational methods; vibronic effects in electronic spectra (with P. Cimino, F. Santoro, J. Bloino, M. Biczysko).
• Latest applications: photochemistry (with R.Improta); virtual reality (with G.Mancini); cultural heritage (with N.Albertini); chirality (with C.Cappelli); astrochemistry (with D.Skouteris).