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Rosa Di Felice - Researcher

tel. +39-059-2055320
fax +39-059-367488
e-mail: rosa@unimore.it

 

Born in Roma, Italy, April 13, 1967.
Italian citizenship.
Spoken languages: Italian, English.

 

EDUCATION

  • 1992-1995
    PhD in Physics, Universita` di Roma ``Tor Vergata'' (Roma II), Roma, Italy.
  • 1986-1992
    Degree in Physics, Universita` di Roma ``Tor Vergata''. Mark: 110/110 cum laude.
  • 1986
    High school degree "maturita` scientifica" at Liceo Scientifico Statale Pitagora, Roma, Italy. Mark: 60/60.



POSITIONS

  • Since January 2003: tenure-track INFM Researcher, National Research Center S3, Modena, Italy.
  • Dec. 1999 - Dec. 2002: fixed-term INFM Researcher, Unit of Modena, Italy.
  • Dec. 1997 to November 1999: INFM Postdoctoral Research Assistant, Department of Physics, Università di Modena e Reggio Emilia, Modena, Italy. Advisor Prof. Carlo Maria Bertoni.
  • January 1996 to January 1998: Postdoctoral Research Assistant, Xerox Palo Alto Research Laboratory, Palo Alto, California, USA. Advisor Dr. J.E. Northrup.



RESEARCH EXPERIENCE

  • First-principle calculations of surface reconstructions. Thermodynamic stability and dynamical evolution. Car-Parrinello Molecular Dynamics. Phonon spectra from the dynamical trajectories. Applications to clean and hydrogenated Si(111) and GaAs(110) surfaces.
  • Group-III nitrides, zincblende and wurtzite GaN and AlN. Polar and non-polar surfaces and thin films. Link between lattice mismatch and two-dimensional film stability.
  • Surface reconstruction in the very early deposition stages. Nitride quantum dots
  • Catalytic materials: the case of aluminum oxide. Clean and hydrogenated basal surface. Reaction to water and epitaxy of the material.
  • Hybrid biomolecular electronics: conduction in biomolecules. The approach by first-principle calculations. The case of guanine stacks and hydrogen-bonded structures. Extension to the calculation of transport properties, dipolar interactions, and electronic structure of aggregates of other DNA bases.
  • Protein-based transistors: calculation of the electronic properties of active centers, and of the structural characteristics that control adhesion to the electrodes.
  • Thiol-metal chemisorption: explicit study for the case of cysteine ad cystine molecules on the Au(111) surface.



OTHER EXPERIENCE

PROJECTS
1 - Coordination of National Projects for the allocation of computing time on parallel supercomputers at CINECA.

  • 2000/2001 (refereed, completed): Electronic Properties of Nucleoside-based Solids.
  • 2001 (refereed, completed): Ab-initio study of SiC surfaces and surface defects in the frame of SiC growth.
  • 2001/2002 (granted, completed): First-principle study of the Cu site of the electron-transfer-protein Azurin.
  • 2001/2002 (granted, completed): Electronic properties of model oligonucleotides: G4 and poly(C)-poly(G).
  • 2002 (refereed, currently active): First-principle study of the Cu site of the electron-transfer-protein Azurin.
  • 2002 (refereed, currently active): Electronic properties of model oligonucleotides: G4 and poly(C)-poly(G).
  • 2002 (refereed, currently active): A DFT study of Self-Assembled organic monolayers on metal surfaces.
  • 2002 (refereed, visiting grant, completed): A DFT study of Self-Assembled organic monolayers on metal surfaces.
  • 2002 (refereed, currently active): Ab-initio study of SiC surfaces and the implication for epitaxial growth.

2 - Participation in INFM PRA and EU Projects.

  • Participant in the PRA 1MESS 2000-2003, coordinator Prof. C.M. Bertoni, Modena.
  • Participant in the PRA SINPROT 2000-2003, coordinator Dr. P. Facci, Modena.
  • Participant in the EU Project SAMBA, coordinator Prof. R. Cingolani, INFM NNL Lecce.
  • Participant (coordination of the theory node) in the EU Project "DNA-based molecular nanowires" 2003-2005, coordinator Dr. D. Porath, HUJI Jerusalem, Israel.

ADVISORY
1 - Supervision and training of undergraduate and graduate students, and postdoc research assistants.

  • Undergraduate students: Arrigo Calzolari (University of Modena, 1999), Giovanni Borghi (University of Modena, 2000).
  • Graduate students: Carlo Antonio Pignedoli (PhD in Physics, University of Modena, XIII cicle), Arrigo Calzolari (Physics, University of Modena, XV cicle), Maria Clelia Righi (Physics, University of Modena, XVI cicle), Andrea Ferretti (Physics, University of Modena, New series III cicle).
  • PostDocs: Dr. Francesca De Rienzo (INFM Unit of Modena, 2001/2002), Dr. Carlo A. Pignedoli (INFM Unit of Modena, 2000/2002), Dr. Arrigo Calzolari (INFM Unit of Modena, 2003), Dr. Stefano Corni (INFM Unit of Modena, 2003), HouYu Zhang (INFM Unit of Modena, 2003).

REFEREE

  • International Journals: Physical Review Letters, Physical Review B, Applied Physics Letters, Journal of Applied Physics, Journal of the American Chemical Society.



TEACHING

  • April-June 2002: Teaching Assistant, Department of Electrical and Telecommunication Engineering, Università di Modena e Reggio Emilia, Modena, Italy. Excercise classes on General Physics II: Electromagnetism and Optics (20 h).
  • October-December 2000: Teaching Assistant, Department of Industrial and Management Engineering, Università di Modena e Reggio Emilia, Reggio Emilia, Italy. Excercise classes on General Physics II: Electromagnetism and Optics (20 h).
  • October-December 1999: Teaching Assistant, Department of Industrial and Management Engineering, Università di Modena e Reggio Emilia, Reggio Emilia, Italy. Excercise classes on General Physics II: Electromagnetism and Optics (20 h).
  • September 1998: Lecturer, Department of Industrial and Management Engineering, Università di Modena e Reggio Emilia, Reggio Emilia, Italy. Introductory classes: Basic principles of General Physics (20 h).
  • September-October 1998: Lecturer, Department of Mathematics, Università di Modena e Reggio Emilia, Modena, Italy. Introductory classes on mathematics (analysis) for first-year students of Mathematics and of Physics (20 h).
  • October-November 1998: Teaching Assistant, Department of Chemistry, Università di Modena e Reggio Emilia, Modena, Italy. Exercise classes on General Physics I: Mechanics and Thermodynamics (30 h).


VISITING STAYS

  • August-September 2003: Department of Chemistry, Princeton University, NJ, USA (2 weeks).
  • December 2003: Department of Physics, University of São Paulo, Brazil (3 weeks).
  • December 2002: Department of Physics, University of São Paulo, Brazil (1 month).
  • April-May 2001: Department of Physics, University of São Paulo, Brazil (2 months).
  • October 2001: Department of Chemistry, Princeton University, NJ, USA (1 month).
  • March-April 2002: Department of Chemistry, Princeton University, NJ, USA (1 month).


INVITED TALKS

  • September 2004: “Conference on Computational Physics 2004”, Genova, Italy. Title: “Electronic properties of molecular nanostructures by DFT”.
  • May 2004: INFM-DEMOCRITOS & Psi-K Workshop on “Ab Initio Modelling in Biological Systems”, Trieste, Italy.
  • February 2004: International Workshop on “Advances in Molecular Electronics: From Molecular Materials to Single-Molecule Devices”, Max-Planck-Institut Dresden, Germany. Title: “Metal modifications in DNA-based Nanowires”.
  • July 2003. ICTP-INFM Conference “New Frontiers in Noano-biotechnology: Monitoring Protein Function with Single Molecule Resolution”, Trieste, Italy. Title: “Theoretical Studies of Metals in DNA”.
  • May 2003: International Conference "Nanomeeting 2003", Minsk, Belarus.
    Title: "First-Principle Simulations of Biomolecular Nanowires".
  • November 2001: International Meeting on the Theory of Metalloproteins, Department of Chemistry, Leiden University, The Netherlands.
    Title: “The Adsorption of Cysteine Radicals on Au(111) surfaces”.
  • January 2001: First National Meeting on Silicon Carbide, CNR-MASPEC, Parma, Italy.
    Title: “SiC(0001) surfaces: stacking defects and the implications for growth of silicon carbide”.
  • January 1998: International Conference on the Physics and Chemistry of Semiconductor Interfaces (PCSI 25), Salt Lake City, Utah, USA.
    Title: “First Principles Study of AlN Epitaxy on SiC and Al2O3”.


SEMINARS

  • May 2004, UAM Madrid, Spain. Title: “The interaction of metals with the biological world”. Host: Prof. Julio Gomez-Herrero.
  • April 2003: National Research Center NEST c/o Scuola Normale Superiore, Pisa, Italy.
    Title: "Computational Approach to the Study of Biomolecules for Device Applications". Hosts: Dr. Paolo Giannozzi and Dr. Valentina Tozzini.
  • February 2003: ENEA Casaccia.
    Title: "Computer Simulation of Biomolecular Nanostructures". Host. Dr. Fabrizio Cleri.
  • December 2002: Department of Physics, Universidade de São Paulo, Brazil.
    Title: "Electron-transfer proteins for device applications". Host: Prof. Marilia J. Caldas.
  • December 2001: Department of Physics, Technische Universität, Berlin.
    Title: “The Dissociative Chemisorption of NH3 Molecules on GaN(0001) Surfaces”. Host: Prof. Wolfgang Richter.
  • May 2001: Department of Physics, Universidade Federal de Rio de Janeiro, Brazil.
    Title: “Electronic Properties of Model Guanosine Assemblies and their Role in DNA Conductivity”.Host: Prof. Rodrigo Capaz.
  • May 2001: Department of Physics, Universidade de São Paulo, Brazil.
    Title: “Nitride Surfaces and Thin Films from First Principles Calculations”.Host: Prof. Marilia J. Caldas.
  • November 1997: Lawrence Berkeley National Laboratory, Berkely, California, USA.
    Title: “First Principles Study of AlN Epitaxy on SiC and Al2O3”. Host: Prof. Eugene E. Haller.

 

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