Arrigo Calzolari
Contact Details
DEMOCRITOS National Simulation Center
CNR-IOM Istituto Officina dei Materiali
c/o SISSA - via Bonomea 265
I-34012 Trieste (Italy)
Phone: +39 040 378 7317
Fax: +39 040 375 8776
Email: arrigo.calzolari[at]democritos.it
Professional Experiences
- Researcher (09/2009 - present) CRN-INFM DEMOCRITOS, Trieste, IT
- Researcher (07/2007 - 08/2009) CNR-INFM S3, Modena, IT
- Postdoc (03/2003 - 06/2009) CNR-INFM S3, Modena, IT
Research
Ab initio study of the structural, electronic, optical and transport
properties of nanostructures and interfaces for molecular electronics
and photovoltaics applications.
The field of research interests includes:
- Hybrid organic/inorganic interfaces
- Biomolecules and low-dimensional systems
- Thermodinamic stability and dynamical evolution of molecules and nanostructures in water solution.
- Electronic transport in nanostructures and Wannier Functions - (WanT PROJECT)
Education
- Ph.D. in Physics (01/2003)
University of Modena and Reggio E.
Supervisor: Prof. E. Molinari & Dr. R. Di Felice
Thesis: Nucleosides-based solids as wide bandgap semiconductors: electronic properties and transport (pdf) - Laurea (cum laude) in Physics (07/1999)
University of Modena and Reggio E.
Supervisor: Prof. C.M. Bertoni
Thesis: Electronic Structure and Atomic Geometry in Cs Adsorption on InAs(110)
Scientific activity
- Author of 38 scientific papers published in international journals, and of 5 scientific review articles and book chapters.
- Author of 9 invited talks to international conferences and workshops.
- Supervisor of graduate and undergraduate students.
- Lecturer at national and international schools and workshop on computational materials science (4 contributions since 2008).
- Referee for scientific journals (including Phys. Rev. Lett., J. Phys. Chem, and J. Am. Chem. Soc).
Selected Publications
- L. Welte, A. Calzolari, R. Di Felice, F. Zamora, and J Gómez-Herrero, "Highly conductive nanoribbons of coordination polymers", Nat. Nanotech. 5, 110 (2010).
- A. Calzolari, G. Cicero, C. Cavazzoni, R. Di Felice, A. Catellani and S. Corni, "Hydroxyl-rich beta-sheet adhesion to the gold surface in water by first-principle simulations", J. Am. Chem. Soc. 132, 4790 (2010).
- A. Calzolari, S. Monti, A. Ruini, and A. Catellani, "Hydration of cyanin dyes", J. Chem. Phys. 132, 114304 (2010).
- A. Calzolari, W. Jin, J. Reutt-Robey, M. Buongiorno Nardelli, "Substrate-Mediated Intermolecular Hybridization in Binary Phthalocyanine Superstructures", J. Phys. Chem. C 114, 1041 (2010).
- A. Calzolari, D. Varsano, A. Ruini, A. Catellani, R. Tel-Vered, H.B. Yildiz, O. Ovits, I. Willner, "Optoelectronic properties of natural cyanin dyes", J. Phys. Chem. A 113 8801 (2009).
- A. Calzolari and A. Catellani, "Water adsorption on non-polar ZnO(10-10) surface: a microscopic understanding", J. Phys. Chem C 113, 2896 (2009).
- A. Calzolari, R. Di Felice, S.S. Alexander, and F. Zamora, "Metallicity in individual MMX chains", J. Am. Chem. Soc. 130, 5552 (2008).
- E. Shapir, H. Cohen, A. Calzolari, C. Cavazzoni, D. A. Ryndyk, G. Cuniberti, A. Kotlyar, R. Di Felice and D. Porath, "Electronic structure of single DNA molecules resolved by transverse scanning tunneling spectroscopy", Nat. Mater. 7, 68 (2008).
- A. Ferretti, C. Baldacchini, A. Calzolari, R. Di Felice, A. Ruini, E. Molinari, and M. G. Betti, "Mixing of electronic states in pentacene adsorption on copper", Phys. Rev. Lett. 99, 046802 (2007).
- A. Ferretti, A. Calzolari, R. Di Felice, F. Manghi, M.J. Caldas, M. Buongiorno Nardelli, and E. Molinari, "First principle theory of correlated transport through nano-junctions", Phys. Rev. Lett. 94, 116802 (2005).
- A. Calzolari, C. Cavazzoni, and M. Buongiorno Nardelli, "Electronic and transport properties of artificial gold chains", Phys. Rev. Lett. 93, 096404 (2004).
- A. Calzolari, N. Marzari, I. Souza and M. Buongiorno Nardelli, "Ab-initio transport properties of nanostructures from maximally-localized Wannier functions", Phys. Rev. B 69, 035108 (2004).
Complete list of pubblications (list)