Chair of Theoretical Chemistry (Professeur de classe exceptionnelle)

Senior Member of the Institute Universitaire de France (IUF) Studies  

o PhD Thesis in Theoretical Chemistry, from University of Naples (Italy), 1995, « Modulation of physicchemical observable by large amplitude motions and solvent effects », Supervisor Pr.Vincenzo Barone.

o Laurea (Master Degree) in Chemistry, from University of Naples (Italy), 1990 notation 110/110 cum laude,   « A Time-dependent approach for proton transfer reactions » supervisor Pr. Giuseppe Del Re. Career

o Full Professor, ENSCP Chimie ParisTech, Paris (France), 2004-2011

o Professor, ENSCP Chimie ParisTech, Paris (France), 2000-2004

o Assistant professor,  University of  Basilicata, Potenza (Italy), 1993-2000 (permanent position)

o PhD student, University of Naples (Italy), 1992-1995

o Grant from Italian National Research Council, University of Naples (Italy), 1990-1992

o Visiting Researcher at Nuclear Energy Agency (Commissariat à l’Energie Atomique, CEA) Grenoble France 1996-1997 (sabbatical year) and June-September 1998  

o Contract professor, University of Naples (Italy),Molecular Modeling course, Faculty of Pharmacy, 1999  

o Contract professor, University of Naples (Italy),Physical Chemistry course, Faculty of Agronomy, 1998  

o Invited Researcher, Rice University, Houston (USA) January -June 1999  

o Invited Professor, University of  Santiago (Chili) December 2001

o Invited Professor, University Joseph Fourier, Grenoble (France) , March-Aprill 2000

o Invited Professor, University of Naples (Italy), April 2005

o Invited Professor, Pontifical Catholic University, Santiago du Chili, December 2005

o Invited Professor, Minnesota University, Minneapolis (USA) March-June 2009 

 Scientific Production

o 235 papers in international peer-review journals (9265 citations, 8319 without self-citations, h factor = 42,  39 citations/paper, source ISI at 23/01/12)

o 6 chapters in collective books

o 137 communications (oral or poster) in national or international congresses

o 37 invited plenary lectures at national and international congresses

o Co-author of the computer codes Gaussian since 1998 (www.gaussian.com)

o Member of the Advisory Board of Physical Chemistry Chemical Physics, edited by the Royal Society of Chemistry (http://www.rsc.org/Publishing/Journals/CP/Staff.asp) since 2009

o Guest Editor for Theoretical Chemistry Accounts volume 104, 2000, proceedings of XXV Chitel International Journal Quantum Chemistry volume 110, 2010 proceedings of DFT09 International Journal Quantum Chemistry,  C. Pouchan special issue, closed March 2011 Physical Chemistry Chemical Physics,  special issue on Theoretical Biophysics, closing March 2012 Theoretical Chemistry Accounts closing volume end 2012, V. Barone special issue, closing March 2012 Contract and Scientific activities since 2000

o 4 national ANR project non thematic : Hétéro-eau (2007-2009) ; NEXUS (2008-2010, leader), DinfDFT (2010-2012),  for a total of 275000 €.

o 2  national ANR thematic : pre-THECES (2006), PREDIMOL (2010-2012), GENOBASE (2012-2014) for a total of 160000 €  

o 1 CNRS ACI project for young researcher (2002-2004, leader), 75000 €

o 1 European project FP7 New materials for hydrogen powered mobile applications - HYPOMAP  (FP/NMP-2008-CT233482) (2009-2012, 125000 €)

o 1 European project FP7- People Computer simulations of thermally excited molecules and materials by first principles  -  TEMM1P  (PIRSES-GA-2011-295172) (2012-2015, 109000 €)

o Industrial contracts: Pechiney (2001), IFP (2006-2008), INERIS (2007-2009), INERIS (2009-2011), SANOFI-AVENTIS (2010-2012), INERIS (2010-2012), INERIS (2011-2013), L’Oreal (2012) for a total of 987 000 €.

o French National Networks

- Member of the Management Committee of CNRS Research Group (GdR) « Correlated Methods for the Electronic Structure » (Correl) (2011-2013)

- Member of the Management Committee of CNRS Research Group (GdR)  «  Electronic Structure of Nanostructures and Complex Materials: Theory, Codes and Applications with DFT »   (2007-2008)

- Member of the Management Committee of the French Network of Theoretical Chemits,  founded by Gouvernament (2006-2009) and as GdR CNRS (n. 3333, 2010-2013)  (www.chimietheorique.fr) (since its creation in  2006) 

o European Networks :  

-COST action D26 Integrative Computational Chemistry, participation at Working Groups d26-0013-02 and d26-0001-02 (2002-2007)

-COST action CM1002, Convergent Distributed Environment for Computational Spectroscopy, French delegate in the Management Committee et coordinator of the Working Groups 1 (Development of multiscale approaches for computational spectroscopy),

-4 bi-lateral exchange projects EGIDE-PAI : Bulgaria (2005-2006, leader), Switzerland (2006-2007),   Belgium (2007-2008, leader), Belgium (2009-2010, leader)

o 1 bi-lateral exchange projects CNRS  ECOS-Sud : Chili (prof. A. Toro-Labbé) 2004-2006

o Committee Member in 17 national or international congresses. The most recent ones:

-13th  International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09), 31 August- 4 September  2009, Lyon (France) 450 participants, organizing committee  

-12ème Rencontre des Chimistes Théoriciens Francophones, 140 participants, 4-8 July 2010, Namur (Belgique) scientific and organizing committees  

-XXXVI Congrès des Chimistes Théoriciens d’Expression Latine, 19-24 September 2010, Anglet (France) 180 participants, scientific committees  

-31st European Congress of Molecular Spectroscopy, 26 - 31 August, 2012, Cluj-Napoca (Romania) 2012 participants expected, scientific committee  

-13ème Rencontre des Chimistes Théoriciens Francophones, 150 participants expected , 2-5 July 2012, Nice (France) scientific committee  

Administrative Activities since 2000

o Head of the Group Modeling Complex Systems of the LECIME lab (3 permanents, 12 non permanents)

o Member of the Laboratory bureau, LECIME, UMR CNRS 7575 o Head of the Teaching Department “Mathematical and Informatics Methods” of ENSCP

o Member  of Teaching Committee (CEVE) of  ENSCP since 2000

o Elected Member of the Scientific Committee of  ENSCP 2004-2007 and 2011-2014

o Coordinator of the  Master in Chemistry, specialization in “Chemistry and Physical-Chemisty for Biology and Materials” (n. 20050641) of the ENSCP (2005-2008)

o Coordinator of the teaching module NC 832, second year (M2) of Master “Chemistry of Center Paris, Specialization in Analytical, Physical and Theoretical Chemistry (about 15 student/year)

o Member of the Scientific Committee of the PhD School of the University of Calabria, Arcavacata di Rende (Italy)

o Member of the management Committee of the node Ile-de-France of CECAM (Centre Européen de Calcul Atomique et Moléculaire) since its creation in  2010

o Consultant  for the Governmental French Health Agency (INSERM) concerning modeling approaches for endocrine disruptors (2009-2010)

o Member of the ANR-CNRS committee « pro-REACH » concerning modeling aspects in the REACH European legislation (2008-2009)

o Coordinator of the working group “Chemistry” for the report “Production Grid Computing” of the  CNRS Grid Institute (2009)

o Member of the PE5 Panel of ERC starting grants (2011-2012) Teaching Activities

o 2000-2011 Computer Sciences at ENSCP (128h/year), level M1

o 2000-present Theoretical Chemistry at Ecole Normale Supérieure, (18h/year), level M1

o 2000-present  Theoretical Chemistry at Université Pierre et Marie Curie (Paris),  (16h/year) level M2

o 2000-present Chemical Bonding and Molecular Modeling at ENSCP,  (34h/year) level M1 Student Supervising since 2000

o 13 PhD students

o 11 undergraduate students  

o 5 post-docs