Consorzio Interuniversitario per lo sviluppo dei Sistemi a Grande Interfase
Center for Colloid and Surface Science
Center for Colloid and Surface Science
Position: Permanent Staff
Email: vincenzo.barone@sns.it
Phone: 050 509-134
Location: Pisa - Scuola Normale Superiore
Development of new methods in the Density Functional Theory framework.
Solvatation theory.
Computational spectroscopy.
In silico design of novel materials.
Development of new methodologies and algorithms for molecular dynamics simulations.
Astrobiologia (Chimica, Scuola Normale Superiore, Pisa)
Seminari sulle Frontiere della Chimica (Chimica, Scuola Normale Superiore, Pisa)
Modellistica Computazionale di Bio e Nanosistemi (Chimica, Scuola Normale Superiore, Pisa)
1976: Degree in Chemistry at Naples University (110 cum laude/110).
1977: Post-Doc CEA-CEN Commissariat a l'Energie Atomique-Centre d'Etudes Nucleaires, Grenoble (France).
1978-1981: Assistente Ordinario di Chimica Generale, Università della Calabria.
1980: Post-Doc University of Montreal (Canada). 1981: Post-Doc University Erlangen-Nurnberg (Germany).
1982-1993: Professore Associato in Physical Chemistry, Università Federico II di Napoli.
1983: Visiting Professor Universitè Joseph Fourier, Grenoble (France).
1994-2008: Professore Ordinario in Physical Chemistry, Università Federico II di Napoli.
2000: Member of the Theoretical Chemistry Accounts Editorial Board.
2004: Visiting Professor Ecole Normale Superieure di Parigi (Francia).
2005-2007: Coordinator of the Gruppo Interdivisionale di Chimica Computazionale of SCI.
2007-2009: President of the Divisione di Chimica-Fisica of SCI.
2008: Fellow International Academy of Quantum Molecular Sciences (IAQMS). Member of the Scientific Council of the Chemistry Departement of CNRS (France). Director of CNR-IPCF Istituto per i Processi Chimico-Fisici. Member of the Editorial Board of Journal of Computational Chemistry.
2009: Thomson-Reuters ISI Highly Cited Researcher. Member of Commissione di Garanzia Progetti PRIN
2008. Member of the Scientific Council of the Data Center SCOPE (Napoli). Professore Ordinario di Chimica Teorica e Computazionale, Scuola Normale Superiore. Fellow Royal Society of Chemistry (FRSC). Member of the Physical Chemistry Chemical Physics-PCCP Editorial Board. National coordinator of Progetto 7 (Modelling Computazionale) del Dipartimento di Progettazione Molecolare (DPM)-CNR.
2010: Presidente del Centro di Calcolo Elettronico Scuola Normale Superiore di Pisa. Coordinator of the Unità di Pisa on TO61 dell’INFN-Istituto Nazionale di Fisica Nucleare. Coordinator of the network M3-Village of the INSTM-Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali.
2011: SCI-Società Chimica Italiana President in 2011-2013 Member of the Consiglio Direttivo del Centro di Supercalcolo CASPUR-Consorzio interuniversitario per le Applicazioni di Supercalcolo per Università e Ricerca (Roma) CECAM -Centre Européen de Calcul Atomique et Moléculaire node director at Scuola Normale Superiore di Pisa Member of the Editorial Board of Spectrochimica Acta A.
2009: Medaglia Sacconi of the Divisione di Chimica Inorganica of SCI.
Rotational spectra and semi-experimental structures of furonitrile and its water cluster
- Melosso M. - Alessandrini S. - Spada L. - Melli A. - Wang X. - Zheng Y. - Duan C. - Li J. - Du W. - Gou Q. - Bizzocchi L. - Dore L. - Vincenzo Barone - Puzzarini C.Accurate Thermochemical and Kinetic Parameters at Affordable Cost by Means of the Pisa Composite Scheme (PCS)
- Vincenzo Barone - Crisci L. - Di Grande S.DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline
- Vincenzo Barone - Uribe Grajales L.M. - Di Grande S. - Lazzari F. - Mendolicchio M.Accurate structures and spectroscopic parameters of α,α-dialkylated α-amino acids in the gas-phase: a joint venture of DFT and wave-function composite methods
- Vincenzo BaroneNew prebiotic molecules in the interstellar medium from the reaction between vinyl alcohol and CN radicals: unsupervised reaction mechanism discovery, accurate electronic structure calculations and kinetic simulations
- Ballotta B. - Martínez-Núñez E. - Sergio Rampino - Vincenzo BaroneAccurate Structures and Spectroscopic Parameters of Guanine Tautomers in the Gas Phase by the Pisa Conventional and Explicitly Correlated Composite Schemes (PCS and PCS-F12)
- Vincenzo Barone - Di Grande S. - Lazzari F. - Mendolicchio M.PCS/Bonds and PCS0: Pick your molecule and get its accurate structure and ground state rotational constants at DFT cost
- Vincenzo BaroneReversible trans-alkylation mechanisms at homogeneous catalytic systems investigated by a combined DFT and ASM-NEDA approach
- Zunino R. - Luise D. - Vincenzo Barone - De Rosa C. - Talarico G.DFT Meets Wave-Function Composite Methods for Characterizing Cytosine Tautomers in the Gas Phase
- Vincenzo BaroneAccurate thermochemistry at affordable cost by means of an improved version of the JunChS-F12 model chemistry
- Di Grande S. - Kállay M. - Vincenzo BaroneConsorzio interuniversitario per lo sviluppo dei Sistemi a Grande Interfase
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