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Francesco Mercuri

www:
fmercuri.altervista.org

email:
francesco.mercuri@cnr.it

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Personal details:

Name: Francesco Mercuri
Place and Date of Birth: Terni (Italy), March 30 1971
Present position: Full researcher, CNR Institute for Nanostructured Materials, Bologna, Italy.
Address: via P. Gobetti 101, 40129 Bologna, Italy
E-mail: francesco.mercuri@cnr.it
Home Address: Via Ferrarese 9/2, 40128 Bologna, Italy.
Marital Status: Single
Citizenship: Italian

Education and professional activity:

2011:
  • Visiting scientist, Laboratory for Physical Chemistry of Surfaces at the Ecole Nationale Superieure de Chimie de Paris, France (February 2011 - June 2011) in collaboration with the group of P. Marcus.
2010:
  • Visiting scientist, Institut de Ciencia de Materials de Barcelona (ICMAB), Consejo Superior de Investigaciones Cientificas (CSIC), Barcelona, Spain (October - November 2010) in collaboration with the group of R. Rurali.
2010:
  • Visiting scientist, Department of Physical Chemistry and Electrochemistry, Technische Universitaet Dresden, Germany (July - September 2010) in collaboration with the group of G. Seifert.
2008-2009
  • Visiting scientist, Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, UK (October - December 2008 and May - June 2009) in collaboration with the group of J. C. Green.
2007-2008
  • Visiting scientist, Laboratory for Physical Chemistry of Surfaces at the Ecole Nationale Superieure de Chimie de Paris, France (September 2007 - January 2008) in collaboration with the group of P. Marcus.
2005-2007
  • Research scientist at the Max-Planck-Institut for the chemical physics of solids (theory group), Dresden, Germany.
2002:
  • Research scientist at the Swiss Center for Scientific Computing (CSCS) of the Swiss Federal Institute of Technology (ETH), Manno, Switzerland (January - July) in collaboration with Prof. M. Parrinello.
2001:
  • Full researcher (permanent position), CNR Institute of Molecular Sciences and Technologies (now at Institute for Nanostructured Materials), Italy.
1998-2000:
  • Research work to obtain the Ph.D. in Chemistry, (University of Perugia, December 18 2000, Department of Chemistry) Thesis: "Theoretical Investigations on Inorganic Extended Systems" Supervisor: Prof. A. Sgamellotti.
1999-2000
  • Research stage at the Max-Planck-Institut fuer Festkoerperforschung, Stuttgart, Germany (November 1999 - May 2000) under the supervision of Prof. M. Parrinello.
1997-1998:
  • Master in Computational Engineering, University of Perugia, Regione dell'Umbria, ISRIM, Wessex Institute of Technology, Thesis: "Theoretical Investigations on Silicon-containing Conductive Polymers".
1997:
  • Qualification for the Chemist Profession, November 1997.
1995-1997:
  • Degree Course in Physics, University of Rome "La Sapienza", Italy.
1995:
  • Master of Arts in Chemistry (April 26 1995, marks 110/110 cum laude), University of Perugia, Italy. Thesis: "Theoretical Investigations on Model Systems for Dinitrogen Activation", Supervisors: Proff. A. Sgamellotti, M. Rosi.
1989-1995:
  • Degree Course in Chemistry, University of Perugia, Italy.
1984-1989:
  • Istituto Tecnico Industriale Statale (Chemistry), Terni (marks 60/60).

Grants, Projects, and Awards:

2014-2015:
  • Coordinator of the project "MoTOFET: Morphology and charge transport properties of organic field-effect transistors", DECI-PRACE.
2014:
  • Coordinator of the project "NanoFET: Nanostructures and Interfaces in organic field-effect transistors", ISCRA-CINECA.
2011:
  • Grant "Ville de Paris" for a project on theoretical investigations on the reactivity of metal oxide surfaces (project coordinator), Paris, France.
2010-2012:
  • Coordinator of a Pilot Project within the FP7 Project EU-RU.NET, "Modeling of nanoscale electronic devices based on low-dimensional nanostructured materials" (Project No. 257511)
2010:
  • HPC-Europa grant for a project on electron transport calculations on high-performance computing platforms in the study of silicon nanowires, ICMAB-CSIC, Barcelona, Spain.
2009:
  • Short-term mobility grant (CNR, Italy) for studies on "Theoretical investigations on low-dimensional crystalline nanostructures" at the University of Oxford, UK.
2008:
2007:
  • HPC-Europa grant for a project on ab-initio molecular dynamics investigations on high-performance computing platforms in the study of surfaces, ENSCP, Paris, France.
2005-2006:
  • Max-Planck-Society grant at the Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden, Germany.
2004:
  • Coordinator of the CNR grant "Study of a grid-computing based simulator of a gas-phase system" within the FIRB project on high-performance scalable platforms for computing grids.
2001:
  • CNR Grant (N. 113.163.BO.1) at the CNR Centre of Intensive Computing in Molecular Sciences, "High-Performance Computing in Molecular Sciences".
2000:
  • Coordinator of the CNR Project "Agenzia Giovani 2000" CNRG007DCD "Implementation of computational chemistry algorithms on high-performance computers".
1990:
  • Prize "TOE" - Best student award, Terni, Italy.
1988:
  • 1st prize at the regional round for the International Chemistry Olympiad and selection for the National competition.

Teaching activity:

2012-2016
  • Supervision of Ph.D. and graduation theses, Department of Chemistry and Industrial Chemistry, University of Bologna (Italy).
2011:
  • E-WISPOC - European Winter School in Physical Organic Chemistry, "Modeling of low-dimensional carbon nanostructures", Bressanone (BZ), Italy,, Jan 30th - February 4th.
2004-2009
  • Supervision of Ph.D. and graduation theses, Department of Chemistry, University of Perugia (Italy).
2003-2008:
  • Course of computer science (65 hours per semester), Faculty of Sciences, University of Perugia (Italy).
2000:
  • ESCC 2000 - European School in Computational Chemistry, Course on ab-initio molecular dynamics, Perugia (Italy), August 28th - September 2nd.
  • SCQC 2000 - Summer School in Computational Quantum Chemistry, Course on ab-initio molecular dynamics, CILEA, Milano (Italy) July 24th - 28th.

Organization of conferences and workshops:

2016:
  • SINFO 3: 3rd Workshop on Surfaces, Interfaces and Functionalization Processes in Organic Compounds and Applications (member of the Programme Committee), Naples, Italy, June 27th-28th.
2015:
  • Chemistry, Materials & LightA CNR event in the framework of the International Year of Light (member of the Organizing and Programme Committees), Bologna, Italy, September 21st-23rd.
2014:
  • SINFO 2: 2nd Workshop on Surfaces, Interfaces and Functionalization Processes in Organic Compounds and Applications (member of the Programme Committee), Trieste, Italy, June 25th-27th.
2009:
  • CINN09: CECAM/SimBioMa Workshop on Modeling of Carbon and Inorganic Nanotubes and Nanostructures (co-organizers: G. Seifert), Lausanne, Switzerland, May 13th-15th.

Invited and plenary talks:

2013:
  • Workshop on low-dimensional carbon nanostructures: graphene and nanotubes, Accademia Nazionale dei Lincei, Rome, Italy, March 13th. "Clar sextet theory and low-dimensional carbon nanostructures: electronic, chemical, and transport properties" (invited talk).
2011:
  • HPC-NN 2011: ImagineNano 2011, Bilbao, Spain, April 11th-14th. "Electronic and transport properties of chemically functionalized nanographenes" (plenary talk).
2011:
  • CECAM Workshop on Charge and Spin Transport in Chemically Modified Graphene based Materials, Barcelona, Spain, April 7th-8th 2011. "Electronic and transport properties of chemically functionalized nanographenes" (plenary talk).
2009:
  • TNT2009: Trends in Nanotechnology, Barcelona, Spain, September 7th-11th. "Modeling of low-dimensional carbon nanostructures: an efficient approach based on chemical criteria" (plenary talk).
  • INNT-1: Workshop on inorganic nanotubes: experiment and theory. Donostia-San Sebastian, Spain, September 2nd-4th. "Polymorphism at the nanoscale and electronic properties of inorganic nanotubes: A theoretical approach" (invited talk).
  • CECAM Workshop on "Computational Studies of Defects in Nanoscale Carbon Materials", Lausanne, Switzerland, May 11th-13th. "Modeling of low-dimensional carbon nanostructures: an efficient approach based on chemical criteria" (invited talk).
2004:
  • Workshop in Nanotechnology and Nanoscience, Brazilian Ministry of Science and Technology, Sao Paulo (Brazil), December 13th-14th. "Computational modeling of nanodevices" (invited talk).
2003:
  • GICC2003 - 5th Edition of the Italian Computational Chemistry Group Workshop, Siena (Italy), December 18th - 19th, "Role of defects on the gas sensing properties of carbon nanotubes thin films" (plenary talk).
  • CERC3 - Chairmen of the European's research council's chemistry committee, Nanoscience: from chemistry and molecular microscopy to the design of functional surfaces, Gothenburg (Sweden), April 11th - 13th, "Molecular dynamics simulations of a [2]catenane-based molecular switch" (invited talk).
2002:
  • Workshop CINECA-ISTM, CINECA, Bologna (Italy), September 6th, "Ab-initio investigations on complex inorganic systems: machines at a molecular level" (invited talk).
1999:
  • Workshop PQE2000, May 11th, Pisa (Italy) "Schemi di algoritmi relativi a problemi di interesse nella chimica computazionale ed implementazione parallela mediante il paradigma SkIECL" (invited talk).

Scientific interests:

  • Multi-scale modeling in materials science, chemistry, and nanotechnology.
  • Ab-initio computational methods, density functional theory, Car-Parrinello, classical and coarse-grained molecular dynamics.
  • Statistical mechanics techniques, Monte-Carlo and kinetic Monte-Carlo methods.
  • Computational engineering and finite element techniques.
  • High-performance computing, scalable architectures and networks, large-scale computing clusters.
  • High-performance software development, parallel programming, open-source applications, advanced software design.
  • Advanced scientific visualization, 3D graphics and animations, virtual reality, web-based and mobile applications.
  • Technology transfer, research to industry translation, research data paradigms and meta-languages.

Other:

  • Languages: Italian (mother language), English (fluent), German (good), French (basic).
  • Civil Service carried out with the National Health Service (USL n.4) - Terni (1997-1998).