| QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Journal of physics: Condensed matter 21 (39), 395502, 2009 | 27651 | 2009 |
| 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 | 6637 | 2017 |
| Magnetic tunnel junctions with ferroelectric barriers: prediction of four resistance states from first principles JP Velev, CG Duan, JD Burton, A Smogunov, MK Niranjan, E Tosatti, ... Nano letters 9 (1), 427-432, 2009 | 368 | 2009 |
| Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudopotentials A Smogunov, A Dal Corso, E Tosatti Physical Review B 70 (4), 045417, 2004 | 235 | 2004 |
| Molecular-scale dynamics of light-induced spin cross-over in a two-dimensional layer K Bairagi, O Iasco, A Bellec, A Kartsev, D Li, J Lagoute, C Chacon, ... Nature communications 7 (1), 12212, 2016 | 142 | 2016 |
| Tuning the magnetic anisotropy at a molecule-metal interface K Bairagi, A Bellec, V Repain, C Chacon, Y Girard, Y Garreau, J Lagoute, ... Physical review letters 114 (24), 247203, 2015 | 132 | 2015 |
| Large magnetoresistance through a single molecule due to a spin-split hybridized orbital SL Kawahara, J Lagoute, V Repain, C Chacon, Y Girard, S Rousset, ... Nano letters 12 (9), 4558-4563, 2012 | 121 | 2012 |
| Colossal magnetic anisotropy of monatomic free and deposited platinum nanowires A Smogunov, A Dal Corso, A Delin, R Weht, E Tosatti Nature Nanotechnology 3 (1), 22-25, 2008 | 116 | 2008 |
| Kondo conductance in an atomic nanocontact from first principles P Lucignano, R Mazzarello, A Smogunov, M Fabrizio, E Tosatti Nature materials 8 (7), 563-567, 2009 | 90 | 2009 |
| Nonmagnetic single-molecule spin-filter based on quantum interference AN Pal, D Li, S Sarkar, S Chakrabarti, A Vilan, L Kronik, A Smogunov, ... Nature communications 10 (1), 5565, 2019 | 68 | 2019 |
| Out-versus in-plane magnetic anisotropy of free Fe and Co nanocrystals: Tight-binding and first-principles studies D Li, C Barreteau, MR Castell, F Silly, A Smogunov Physical Review B 90 (20), 205409, 2014 | 68 | 2014 |
| Metallic, magnetic and molecular nanocontacts R Requist, PP Baruselli, A Smogunov, M Fabrizio, S Modesti, E Tosatti Nature nanotechnology 11 (6), 499-508, 2016 | 59 | 2016 |
| Magnetic phenomena, spin-orbit effects, and Landauer conductance in Pt nanowire contacts: Density-functional theory calculations A Smogunov, A Dal Corso, E Tosatti Physical Review B 78 (1), 014423, 2008 | 57 | 2008 |
| Ballistic conductance and magnetism in short tip suspended Ni nanowires A Smogunov, A Dal Corso, E Tosatti Physical Review B 73 (7), 075418, 2006 | 51 | 2006 |
| Complex band structures and decay length in polyethylene chains F Picaud, A Smogunov, A Dal Corso, E Tosatti Journal of Physics: Condensed Matter 15 (22), 3731, 2003 | 49 | 2003 |
| Symmetry-derived half-metallicity in atomic and molecular junctions A Smogunov, YJ Dappe Nano letters 15 (5), 3552-3556, 2015 | 46 | 2015 |
| Magnetocrystalline anisotropy energy of and slabs and nanoclusters: A detailed local analysis within a tight-binding model D Li, A Smogunov, C Barreteau, F Ducastelle, D Spanjaard Physical Review B 88 (21), 214413, 2013 | 44 | 2013 |
| Shot noise and magnetism of Pt atomic chains: Accumulation of points at the boundary M Kumar, O Tal, RHM Smit, A Smogunov, E Tosatti, JM van Ruitenbeek Physical Review B 88 (24), 245431, 2013 | 42 | 2013 |
| Selective d-state conduction blocking in nickel nanocontacts A Smogunov, A Dal Corso, E Tosatti Surface science 507, 609-614, 2002 | 41 | 2002 |
| Importance of epitaxial strain at a spin-crossover molecule–metal interface C Fourmental, S Mondal, R Banerjee, A Bellec, Y Garreau, A Coati, ... The Journal of Physical Chemistry Letters 10 (14), 4103-4109, 2019 | 40 | 2019 |
