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Rosa Di Felice

Associate Professor (Research) of Physics and Astronomy

Contact Information
E-mail: difelice@usc.edu
Phone: (213) 740-1124
Office: SGM 410

LINKS
Curriculum Vitae
Personal Website
 

Biographical Sketch

PROFESSIONAL HISTORY

  • Associate Professor (Research) of Physics and Astronomy, University of Southern California, Los Angeles, CA, USA (9/1/2013-8/31/2015).
  • Senior CNR research staff member at the Center S3, CNR-NANO Institute, Modena, Italy (04/2009-).
  • Member of the research staff of INFM-CNR at the National Center S3 in Modena, Italy (06/2006-04/2009).
  • Tenure Track INFM Researcher, INFM National Center S3, Modena, Italy (01/2003-05/2006).
  • Fixed-term INFM Researcher, Unit of Modena, Italy (12/1999-12/2002).
  • INFM Postdoctoral Research Assistant, Department of Physics, University of Modena and Reggio Emilia, Modena, Italy (12/1997-11/1999).
  • DARPA Postdoctoral Research Assistant, Xerox Palo Alto Research Laboratory, Palo Alto, CA, USA (01/1996-01/1998).

 

EDUCATION HISTORY

  • 1992-1995: PhD in Physics, University of Rome “Tor Vergata”, Rome, Italy. Defense 17/10/1996, University of Bologna, Bologna, Italy.
  • 1986-1992: BSc & MSc in Physics, University of Rome “Tor Vergata”, Summa cum Laude. Defense 10/04/1992, University of Rome “Tor Vergata”, Rome, Italy.

 

VISITING STAYS

  • 1 year 2012: Dept. Biology, Molecular and Computational Biology section, University of Southern California, Los Angeles, CA, USA.
  • 3 months October-December 2012: Dept. Physics, University of Southern California, Los Angeles, CA, USA.
  • 3 weeks May 2010: Dept. Physics, University of Southern California, Los Angeles, CA, USA.
  • 3 weeks September 2008: CNMS at Oak Ridge National Laboratory, TN, USA.
  • 1 week July 2008: Institute of Physical Chemistry at the Hebrew University of Jerusalem (HUJI), Israel.
  • 1 week August 2007: Institute of Physical Chemistry, HUJI, Jerusalem, Israel.
  • 3 weeks December 2004 – January 2005: Department of Physics, University of São Paulo, Brazil.
  • 1 week November 2004: Tel Aviv University and Hebrew University of Jerusalem, Israel.
  • 3 weeks December 2003: Department of Physics, University of São Paulo, Brazil.
  • 2 weeks August-September 2003: Department of Chemistry, Princeton University, NJ, USA.
  • 1 month December 2002: Department of Physics, University of São Paulo, Brazil.
  • 1 month March-April 2002: Department of Chemistry, Princeton University, NJ, USA.
  • 1 month October 2001: Department of Chemistry, Princeton University, NJ, USA.
  • 2 months April-May 2001: Department of Physics, University of São Paulo, Brazil.

 

 

Description of Research

Research Keywords

Theoretical biophysics, electronic structure of DNA and proteins, conformational flexibility and thermodynamics, charge transfer in biological systems, molecule/surface interactions, biomolecular nanostructures, hybrid materials and bio-nano-systems, Density Functional Theory, Molecular Dynamics.
 

Publications

Journal Article

Hancock, S. P., Ghane, T., Cascio, D., Rohs, R., Di Felice, R., Johnson, R. C. (2013). Control of DNA minor groove width and Fis protein binding by the purine 2-amino group. Nucl. Acids Res.. Vol. 41, pp. 6750-6760.
Zhou, T., Yang, L., Lu, Y., Dror, I., Dantas Machado, A., Ghane, T., Di Felice, R., Rohs, R. (2013). DNAshape: high-throughput prediction of DNA shape on a genomic scale. Nucl. Acids Res.. Vol. 41, pp. W56-W62.
Rosa, M., Corni, S., Di Felice, R. (2013). The interaction of DNA bases with the Au(111) surface. J. Chem. Theo. Comput..
Sun, W., Corni, S., Di Felice, R. (2013). Reactivity of the ZnS(1010 ) surface to small organic ligands by density functional theory. J. Phys. Chem. C. Vol. 117, pp. 16034.
Bellucci, L., Corni, S., Di Felice, R., Paci, E. (2013). The Structure of Neuronal Calcium Sensor-1 in Solution Revealed by Molecular Dynamics Simulations. PloS ONE.
Brancolini, G., Migliore, A., Corni, S., Fuentes-Cabrera, M., Luque, F., Di Felice, R. (2013). Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines. ACS Nano.
Di Felice, R., Sun, W. (2012). Nature of the Interaction between Natural and Size-Expanded Guanine with Gold Clusters: A Density Functional Theory Study. J. Phys. Chem. C. Vol. 116, pp. 24954-24961.
Rosa, M., Corni, S., Di Felice, R. (2012). A Density Functional Theory Study of Cytosine on Au(111). J. Phys. Chem. C. Vol. 116, pp. 21366-21373.
Lee, M. H., Brancolini, G., Gutierrez, R., Di Felice, R., Cuniberti, G. (2012). Probing Charge Transport in Oxidatively Damaged DNA Sequences under the Influence of Structural Fluctuations. J. Phys. Chem. B. Vol. 116, pp. 10977-10985.
Ghane, T., Brancolini, G., Varsano, D., Di Felice, R. (2012). Optical Properties of Triplex DNA from Time-Dependent Density Functional Theory. J. Phys. Chem. B. Vol. 116, pp. 10693-10702.
Di Felice, R., Corni, S. (2011). Simulation of Peptide-Surface Recognition. J. Phys. Chem. Lett.. Vol. 2, pp. 1510-1519.
Shapir, E., Brancolini, G., Molotsky, T., Kotlyar, A. B., Di Felice, R., Porath, D. (2011). Energy Gap Reduction in DNA by Complexation with Metal Ions. Adv. Mater.. Vol. 23, pp. 4290-4294.
Welte, L., Calzolari, A., Di Felice, R., Zamora, F., Gomez-Herrero, J. (2010). Highly conductive self-assembled nanoribbons of coordination polymers. Nature Nanotech.. Vol. 5, pp. 110-115.
Shapir, E., Sagiv, L., Molotsky, T., Kotlyar, A. B., Di Felice, R., Porath, D. (2010). Electronic Structure of G4-DNA by Scanning Tunneling Spectroscopy. J. Phys. Chem. C. Vol. 114, pp. 22079-22084.
Iori, F., Di Felice, R., Molinari, E., Corni, S. (2009). GoIP: An Atomistic Force-Field to Describe the Interaction of Proteins With Au(111) Surfaces in Water. J. Comput. Chem.. Vol. 30, pp. 1465-1476.
Migliore, A., Corni, S., Varsano, D., Di Felice, R., Klein, M. L. (2009). First Principles Effective Electronic Couplings for Hole Transfer in Natural and Size-Expanded DNA. J. Phys. Chem. B. Vol. 113, pp. 9402-9415.
Shapir, E., Cohen, H., Calzolari, A., Cavazzoni, C., Ryndyk, D. A., Cuniberti, G., Kotlyar, A. B., Di Felice, R., Porath, D. (2008). Electronic structure of single DNA molecules resolved by transverse scanning tunnelling spectroscopy. Nature Mater.. Vol. 7, pp. 68-74.
Iori, F., Corni, S., Di Felice, R. (2008). Unraveling the interaction between histidine side chain and the Au(111) surface: A DFT study. J. Phys. Chem. C. Vol. 112, pp. 13540-13545.
Brancolini, G., Di Felice, R. (2008). Electronic Properties of Metal-Modified DNA Base Pairs. J. Phys. Chem. B. Vol. 112, pp. 14281-14290.
Ferretti, A., Baldacchini, C., Calzolari, A., Di Felice, R., Ruini, A., Molinari, E., Betti, M. (2007). Mixing of electronic states in pentacene adsorption on copper. Phys. Rev. Lett.. Vol. 99, pp. 046802.
Varsano, D., Garbesi, A., Di Felice, R. (2007). Ab initio optical absorption spectra of size-expanded xDNA base assemblies. J. Phys. Chem. B. Vol. 111, pp. 14012-14021.
Varsano, D., Di Felice, R., Marques, M. A., Rubio, A. (2006). A TDDFT study of the excited states of DNA bases and their assemblies. J. Phys. Chem. B. Vol. 110, pp. 7129-7138.
Cavallari, M., Calzolari, A., Garbesi, A., Di Felice, R. (2006). Stability and migration of metal ions in G4-wires by molecular dynamics simulations. J. Phys. Chem. B. Vol. 110, pp. 26337-26348.
Migliore, A., Corni, S., Di Felice, R., Molinari, E. (2006). First-principles density-functional theory calculations of electron-transfer rates in azurin dimers. J. Chem. Phys.. Vol. 124, pp. 064501.
Ferretti, A., Calzolari, A., Di Felice, R., Manghi, F., Caldas, M. J., Buongiorno Nardelli, M., Molinari, E. (2005). First-principles theory of correlated transport through nanojunctions. Phys. Rev. Lett.. Vol. 94, pp. 116802.
Di Felice, R., Bertoni, C., Pignedoli, C., Catellani, A. (2005). Hydrogen-induced surface metallization of ss-SiC(100)-(3 x 2) revisited by density functional theory calculations. Phys. Rev. Lett.. Vol. 94, pp. 116103.
Zhang, H., Calzolari, A., Di Felice, R. (2005). On the magnetic alignment of metal ions in a DNA-mimic double helix. J. Phys. Chem. B. Vol. 109, pp. 15345-15348.
Porath, D., Cuniberti, G., Di Felice, R. (2004). Charge transport in DNA-based devices. Top. Curr. Chem. Vol. 237, pp. 183-227.
Di Felice, R., Selloni, A., Molinari, E. (2003). DFT study of cysteine adsorption on Au(111). J. Phys. Chem. B. Vol. 107, pp. 1151-1156.
Calzolari, A., Di Felice, R., Molinari, E., Garbesi, A. (2002). G-quartet biomolecular nanowires. Appl. Phys. Lett.. Vol. 80, pp. 3331-3333.
Di Felice, R., Calzolari, A., Molinari, E., Garbesi, A. (2002). Ab initio study of model guanine assemblies: The role of pi-pi coupling and band transport. Phys. Rev. B. Vol. 65, pp. 045104.
Di Felice, R., Northrup, J. E. (1998). Energetics of AlN thin films on the Al2O3(0001) surface. Appl. Phys. Lett.. Vol. 73, pp. 936-938.
 

Service to the Profession

Committees

Member, Editorial Board CNR, 03/2010-12/2012  
Member, Executive Board CNR-NANO-S3, 01/2004-12/2012  
Member, Search Committees CNR, Italy (for postdocs and faculty), 01/2002-12/2011  
Chair, Search committees CNR, Italy (for postdocs and faculty), 01/2002-12/2011  
Member, Evaluation of Habilitation Thesis Robert Stadler, University of Vienna, Austria, 01/2011  
Member, Evaluation of PhD Thesis Daniele Varsano, University of San Sebastian, Spain, 03/2006  
 

Conferences Organized

Chair, Charge Transfer in Biosystems, Universit├Ątszentrum Obergurgl, Obergurgl, Austria, 07/2011  
Chair, DNA-based Nanowires: on the Way from Biomolecules to Nanodevices, University of Modena, Italy, 10/2005  
 

Editorships and Editorial Boards

Associate Editor, Scientific Reports, 03/2013-12/2020  
Associate Editor, European Physical Journal B, 06/2008-12/2020  
 

Review Panels

European Commission, Marie Curie Intra-European Fellowships, 03/2006-06/2006  
 

Reviewer for Publication

Nature Nanotechnology, Nature, Referee, 01/2006-12/2020  
Journal of Physical Chemistry (A,B,C,Lett), ACS, Referee, 01/2004-12/2020  
Journal of the American Chemical Society, ACS, Referee, 01/2004-12/2020  
Nano Letters, ACS, Referee, 01/2004-12/2020  
Physical Review Letters, APS, Referee, 01/2000-12/2020  
 
 
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