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.
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More than 700 scientific papers published in journals of physical and theoretical chemistry and of several book chapters.
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).
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).
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).
photochemistry (with R.Improta); virtual reality
(with G.Mancini); cultural heritage (with N.Albertini); chirality
(with C.Cappelli); astrochemistry (with D.Skouteris).