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 | 6638 | 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 | 1069 | 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 | 542 | 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 | 404 | 2019 |
Koopmans’ condition for density-functional theory I Dabo, A Ferretti, N Poilvert, Y Li, N Marzari, M Cococcioni Physical Review B 82 (11), 115121, 2010 | 216 | 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 | 192 | 2014 |
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 | 160 | 2007 |
Electronic-structure methods for materials design N Marzari, A Ferretti, C Wolverton Nature materials 20 (6), 736-749, 2021 | 144 | 2021 |
Ab initio electron-electron interaction effects in quantum transport P Darancet, A Ferretti, D Mayou, V Olevano Physical Review B 75 (7), 075102, 2007 | 120 | 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 | 114 | 2014 |
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 | 103 | 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 | 98 | 2014 |
Atomic and electronic structure of the nonpolar surface M Bertelli, P Löptien, M Wenderoth, A Rizzi, RG Ulbrich, MC Righi, ... Physical Review B 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, MB Nardelli Physical Review B 88 (16), 165127, 2013 | 86 | 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 | 79 | 2018 |
Koopmans-compliant spectral functionals for extended systems NL Nguyen, N Colonna, A Ferretti, N Marzari Physical Review X 8 (2), 021051, 2018 | 75 | 2018 |
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 |
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 | 71 | 2003 |
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 | 66 | 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 | 62 | 2016 |