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Prof. Vincenzo Barone

Vincenzo Barone
  • Professore Ordinario di Chimica Teorica e Computazionale
  • ricevimento: martedì 9-11
  • Piazza dei Cavalieri 7, 56126, Pisa, Italia
  • piano 3, studio 70
  • tel. (+39) 050 509134
  • fax. (+39) 050 563513
  • E-Mail: vincenzo.barone@sns.it

Curriculum

  • 2009–:

    • Recipient of the Sacconi medal
    • Chairman of the Congress of the Italian Chemical Society
    • Member of the Scientific Board of the SCOPE Data Center (Naples)
    • Full Professor of Theoretical and Computational Chemistry, Scuola Normale Superiore
    • Fellow of the Royal Society of Chemistry (FRSC)
    • Member of the Editorial Board of PCCP
    • National Coordinator of Project 7 (Computational Modeling) of the Molecular Design
    • Department of Italian Research Council (DPM-CNR)
    • Fellow of the International Academy of Quantum Molecular Sciences (IAQMS)
  • 2008–:

    • Member of the Scientific Council of the Chemistry Department of CNRS (France)
    • Member of the Scientific Council of the Doctoral School of Padua University
    • Member of the Scientific Council of the CASPUR Supercomputer Center (Rome)
    • Coordinator of the Perugia Unit of the Specific Initiative TO61 of INFN
    • Director of CNR-IPCF
  • 2007–:

    Member of the Editorial Board of Journal of Computational Chemistry

  • 2007–2009:

    President of the Chemical Physics Division of the Italian Chemical Society

  • 2005–2007:

    Coordinator of the Computational Chemistry Group of the Italian Chemical Society

  • 2005:

    Visiting Professor Ecole Normale Supérieure of Paris (France)

  • 2000–:

    Member of the Editorial Board di Theoretical Chemistry Accounts

  • 1994–2008:

    Full Professor of Physical Chemistry, University Federico II of Naples

  • 1983:

    Visiting Professor University Joseph Fourier, Grenoble (France)

  • 1982–1993:

    Associate Professor of Physical Chemistry, University Federico II of Naples

  • 1981:

    Post-Doc in Theoretical Chemistry, University of Montreal (Canada)

  • 1980:

    Post-Doc in Theoretical Chemistry, University Erlangen-Nurnberg (Germany)

  • 1978-1981:

    Assistant Professor of General Chemistry, University of Calabria

  • 1978:

    Post-Doc in Theoretical Chemistry, CEA-CEN Grenoble

  • 1977:

    Post-Doc in Theoretical Chemistry, University Federico II of Naples

  • 1976:

    Degree in Chemistry

  • 1952:

    Born in Ancona

Author of more than 450 scientific papers published in journals of physical and theoretical chemistry and of several book chapters with more than 15000 citations (2530 in 2008) and an h factor of 54 since 1990.

Significant Scientific 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.
  • 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.
  • Computational Spectroscopy: new basis sets for ESR parameters; integrated approaches for line-shapes; effective Hamiltonians for treating large amplitude nuclear motions; anharmonic contributions; vibronic effects in electronic spectra.
  • Latest applications: photoluminescence of nanostructures; photophysics of DNA, benchmark computations for open-shell systems.

Additional information