Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
7701 2017 Quantum ESPRESSO toward the exascale P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ...
The Journal of chemical physics 152 (15), 2020
1372 2020 Electronic structure of atomically precise graphene nanoribbons P Ruffieux, J Cai, NC Plumb, L Patthey, D Prezzi, A Ferretti, E Molinari, ...
ACS nano 6 (8), 6930-6935, 2012
563 2012 Many-body perturbation theory calculations using the yambo code D Sangalli, A Ferretti, H Miranda, C Attaccalite, I Marri, E Cannuccia, ...
Journal of Physics: Condensed Matter 31 (32), 325902, 2019
459 2019 Koopmans’ condition for density-functional theory I Dabo, A Ferretti, N Poilvert, Y Li, N Marzari, M Cococcioni
Physical Review B—Condensed Matter and Materials Physics 82 (11), 115121, 2010
235 2010 Exciton-dominated optical response of ultra-narrow graphene nanoribbons R Denk, M Hohage, P Zeppenfeld, J Cai, CA Pignedoli, H Söde, R Fasel, ...
Nature communications 5 (1), 4253, 2014
207 2014 Electronic-structure methods for materials design N Marzari, A Ferretti, C Wolverton
Nature materials 20 (6), 736-749, 2021
195 2021 Mixing of electronic states in pentacene adsorption on copper A Ferretti, C Baldacchini, A Calzolari, R Di Felice, A Ruini, E Molinari, ...
Physical review letters 99 (4), 046802, 2007
161 2007 Koopmans-compliant functionals and their performance against reference molecular data G Borghi, A Ferretti, NL Nguyen, I Dabo, N Marzari
Physical Review B 90 (7), 075135, 2014
125 2014 Ab initio P Darancet, A Ferretti, D Mayou, V Olevano
Physical Review B—Condensed Matter and Materials Physics 75 (7), 075102, 2007
120 2007 First-principles theory of correlated transport through nanojunctions A Ferretti, A Calzolari, R Di Felice, F Manghi, MJ Caldas, MB Nardelli, ...
Physical review letters 94 (11), 116802, 2005
104 2005 Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy A Batra, D Cvetko, G Kladnik, O Adak, C Cardoso, A Ferretti, D Prezzi, ...
Chemical Science 5 (11), 4419-4423, 2014
102 2014 Atomic and electronic structure of the nonpolar M Bertelli, P Löptien, M Wenderoth, A Rizzi, RG Ulbrich, MC Righi, ...
Physical Review B—Condensed Matter and Materials Physics 80 (11), 115324, 2009
91 2009 Effective and accurate representation of extended Bloch states on finite Hilbert spaces LA Agapito, A Ferretti, A Calzolari, S Curtarolo, M Buongiorno Nardelli
Physical Review B—Condensed Matter and Materials Physics 88 (16), 165127, 2013
88 2013 Bright electroluminescence from single graphene nanoribbon junctions MC Chong, N Afshar-Imani, F Scheurer, C Cardoso, A Ferretti, D Prezzi, ...
Nano letters 18 (1), 175-181, 2018
87 2018 Koopmans-compliant spectral functionals for extended systems NL Nguyen, N Colonna, A Ferretti, N Marzari
Physical Review X 8 (2), 021051, 2018
86 2018 Electronic properties of polymer crystals: the effect of interchain interactions A Ferretti, A Ruini, E Molinari, MJ Caldas
Physical review letters 90 (8), 086401, 2003
76 2003 Ab initio correlation effects on the electronic and transport properties of metal (II)-phthalocyanine-based devices A Calzolari, A Ferretti, MB Nardelli
Nanotechnology 18 (42), 424013, 2007
74 2007 Surface-assisted reactions toward formation of graphene nanoribbons on Au (110) surface L Massimi, O Ourdjini, L Lafferentz, M Koch, L Grill, E Cavaliere, L Gavioli, ...
The Journal of Physical Chemistry C 119 (5), 2427-2437, 2015
68 2015 Accurate tight-binding Hamiltonians for two-dimensional and layered materials LA Agapito, M Fornari, D Ceresoli, A Ferretti, S Curtarolo, MB Nardelli
Physical Review B 93 (12), 125137, 2016
63 2016 
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)Email verificata su epfl.ch