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.
Accurate structures and rotational constants of nitroaromatic explosives and their taggants at DFT cost by Pisa composite schemes and vibrational perturbation theory
- Vincenzo Barone - Lazzari F. - Grande S.D. - Crisci L.Structures and Rotational Constants of Monocyclic Monoterpenes at DFT Cost by Pisa Composite Schemes and Vibrational Perturbation Theory
- Lazzari F. - Uribe L. - Di Grande S. - Crisci L. - Mendolicchio M. - Vincenzo BaroneFrom Perception to Prediction and Interpretation: Enlightening the Gray Zone of Molecular Bricks of Life With the Help of Machine Learning and Quantum Chemistry
- Vincenzo BaroneAccurate Structure and Spectroscopic Properties of Azulene and Its Derivatives by Means of Pisa Composite Schemes and Vibrational Perturbation Theory to Second Order
- Uribe L. - Di Grande S. - Mendolicchio M. - Nicola Tasinato - Vincenzo BaroneToward Accurate Characterization of the Puzzling NSO and SNO Moieties
- Vincenzo Barone - Uribe L. - Srivastav S. - Pathak A.Reduced Cost Computation and Exploitation of Accurate Radial Interaction Potentials for Barrier-Less Processes
- Crisci L. - Ballotta B. - Mendolicchio M. - Vincenzo BaroneAccurate Geometries of Large Molecules at DFT Cost by Semiexperimental and Coupled Cluster Templating Fragments
- Di Grande S. - Lazzari F. - Vincenzo BaroneReconciling Accuracy and Feasibility for Barrierless Reaction Steps by the PCS/DDCI/MC-PDFT Protocol: Methane and Ethylene Dissociations as Case Studies
- Crisci L. - Vincenzo BaroneStructural and Electronic Evolution of Ethanolamine upon Microhydration: Insights from Hyperfine Resolved Rotational Spectroscopy
- Xie F. - Mendolicchio M. - Omarouayache W. - Murugachandran S.I. - Lei J. - Gou Q. - Sanz M.E. - Vincenzo Barone - Schnell M.Accurate Vibrational and Ro-Vibrational Contributions to the Properties of Large Molecules by a New Engine Employing Curvilinear Internal Coordinates and Vibrational Perturbation Theory to Second Order
- Mendolicchio M. - Vincenzo BaroneConsorzio interuniversitario per lo sviluppo dei Sistemi a Grande Interfase
Department of Chemistry, University of Florence - Via della Lastruccia 3 50019 - Sesto Fiorentino (FI)
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