##### Andrea Ferretti

CNR Researcher

tel. +39 059 2055322

andrea.ferrettinano.cnr .it

**Address**

via Campi 213/A,

I-41125, Modena, Italy

**Running projects**

The FIRB "Futuro in Ricerca" grant (acronym EC_SPECTRA) is meant to drive the formantion of an independent research line leaded by the PI. Since March 2011 the group is operating at the CNR-NANO-S3 (Modena).

The project focuses on the interaction of large conjugated molecules with metal surfaces, including the development of effective methods to study the electronic and optical spectroscopies of such systems.

### Research interests

Andrea Ferretti works in the field of condensed matter and solid-state physics, performing ab initio simulations at the DFT level and beyond (by using many-body perturbation theory (MBPT) methods). Current research interests focus on the ab initio study of the electronic and transport properties of organic semiconductors and hybrid interfaces. A list of topics includes:

- Interaction of large conjugated molecules with metal surfaces, including the development of effective methods to study the electronic and optical spectroscopies of such systems. This is actually the main focus of the EC_SPECTRA Grant funding the research group.

- Electronic structure and transport in nanoscale conductors: the role and the inclusion of correlation effects; theory and applications.- New schemes for DFT functionals, with particular interest to self-interaction corrections and non-unitary invariant schemes. - Development of Scientifc Software (AF is developer of WanT, http://www.wannier-transport.org and codeveloper of others code. See eg http://www.qe-forge.org)

### Selected publications

* I. Dabo, A. Ferretti, C.-H. Park, N. Poilvert, Y. Li, M. Cococcioni, N. Marzari, Donor and acceptor levels of organic photovoltaic compounds from rst principles, Phys. Chem. Chem. Phys. in press (2012).

* P. Ru?eux, J. Cai, N.C. Plumb, L. Patthey, D. Prezzi, A. Ferretti, E. Molinari, X. Feng, K. Mullen, C.A. Pignedoli, R. Fasel, Electronic structure of atomical ly precise graphene nanoribbons, ACS Nano 6, 6930 (2012).

* A. Ferretti, G. Mallia, L. Martin-Samos, G. Bussi, A. Ruini, B. Montanari, N.M. Harrison, Ab initio complex band structure of conjugated polymers: E?ects of hydrid DFT and GW schemes, Phys. Rev. B 85, 235105 (2012).

* T. Rangel, A. Ferretti, P.E. Trevisanutto, V. Olevano, G.-M. Rignanese, Transport properties of molecular junctions from many-body perturbation theory, Phys. Rev. B 84, 045426 (2011).

* I. Dabo, A. Ferretti, N. Poilvert, Y. Li, N. Marzari, M. Cococcioni, Koopmans’ condition for density-functional theory, Phys. Rev. B 82, 115121 (2010).