Andrea Ferretti
CNR Senior Researcher
tel. +39 059 2055322
andrea.ferretti
nano.cnr .it
Address
via Campi 213/A,
I-41125, Modena, Italy
Running projects
MaX - Materials design at the exascale (a European centre of excellence)
MaX is a European Centre of Excellence in HPC, aiming at the best use of supercomputing for materials research and innovation. MaX enables the exascale transition in the materials domain, by developing advanced programming models, novel algorithms, domain-specific libraries, in-memory data management, software/hardware co-design and technology-transfer actions.
SUPER - Supercomputing Unified Platform - Emilia-Romagna
SUPER is a regional project funded with the aim to extend the regional computing and storage infrastructure to support both scientific and industrial use cases.
Research interests
Andrea Ferretti works in the field of condensed matter and solid-state physics, performing ab initio simulations at the level of DFT and beyond (e.g. by using many-body perturbation theory (MBPT) methods or Koopmans' compliant schemes). Current research interests focus on the ab initio study of the electronic and optical properties of organic semiconductors and hybrid interfaces. A list of topics includes:
- Variational formulations of first principles methods for theoretical spectroscopy (methodological developments).
- Interaction of organic molecules with metal surfaces, including the development of effective methods to study the electronic and optical spectroscopies of such systems.
- Electronic structure and transport at the nanoscale: 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 Scientific Software: AF is developer of WanT, Yambo, and Quantum ESPRESSO.
Biographical sketch
Dr. Andrea Ferretti (CNR-NANO) is Senior Researcher at CNR, active in the field of electronic structure simulations in condensed matter physics. He coordinates and is the Spokesperson of the High-Performance Computing (HPC) activities of the institute. hpc.nano.cnr.it
He is also Chair of the Executive Committee of the MaX - materials design at the exascale - centre of Excellence. www.max-centre.eu
The complete list of scientific publications can be found here: http://www.researcherid.com/rid/D-4109-2009, http://orcid.org/0000-0003-0855-2590
Andrea Ferretti is also developer of scientific software (mostly Yambo, Quantum ESPRESSO) implementing electronic structure methods for the ab ignition simulation of materials properties.
Andrea Ferretti has got a master degree in Materials Engineering and a PhD in Physics at the University of Modena and Reggio Emilia under the supervision of Elisa Molinari. In 2009-2011 he spent a joint postdoctoral appointment at MIT (MA,USA) and University of Oxford (UK) in the group of Nicola Marzari. He is researcher at CNR-NANO since 2011.
Selected publications
- N. Marzari, A. Ferretti, and C. Wolverton, Electronic-structure methods for materials’ design, Nature Materials (2021).
- P. Giannozzi, et al., Quantum ESPRESSO at the exascale, J. Chem. Phys. 152, 154105 (2020).
- N.-L. Nguyen, N. Colonna, A. Ferretti, N. Marzari, Koopmans-compliant functionals for extended system: band gaps of semiconductors and insulators, Phys. Rev. X, 8, 021051 (2018).
- G. Avvisati, P. Mondelli, P. Gargiani, C. Cardoso, D. Varsano, A. Ferretti, M.G. Betti, Orbital symmetry driven ferromagnetic and antiferromagnetic coupling of molecular systems, Nano Lett. 18, 2268-2273 (2018).
- M. C. Chong, N. Afshar-Imani, F. Scheurer, C. Cardoso, A. Ferretti, D. Prezzi, G. Schull, Bright electroluminescence from single graphene nanoribbon junctions, Nano Lett. 18, 175-181 (2018).
- N.-L. Nguyen, G. Borghi, A. Ferretti, I. Dabo, N. Marzari, First-principles calculation of photoemission spectra and orbital tomography of organic molecules using Koopmans-compliant functionals, Phys. Rev. Lett. 114, 166405 (2015).
- R. Denk, M. Hohage, P. Zeppenfeld, J. Cai, C.A. Pignedoli, H. S"ode, R. Fasel, X. Feng, K. M"ullen, S. Wang, D. Prezzi, A. Ferretti, A. Ruini, E. Molinari, P. Ruffieux, Exciton Dominated Optical Response of Ultra-Narrow Graphene Nanoribbons, Nature Comm. 5, 4253 (2014).
- A. Ferretti, I. Dabo, M. Cococcioni, N. Marzari, Bridging density-functional and many-body perturbation theory: orbital-density dependence in electronic-structure functionals, Phys. Rev. B 89, 195134 (2014).
- I. Dabo, A. Ferretti, N. Poilvert, Y. Li, N. Marzari, M. Cococcioni, Koopmans' condition for density-functional theory, Phys. Rev. B 82, 115121 (2010).
- 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 principles theory of correlated transport through nano-junctions, Phys. Re