| 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 | 29831 | 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 | 7707 | 2017 |
| Orbital magnetization in periodic insulators T Thonhauser, D Ceresoli, D Vanderbilt, R Resta Physical review letters 95 (13), 137205, 2005 | 453 | 2005 |
| Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals D Ceresoli, T Thonhauser, D Vanderbilt, R Resta Physical Review B—Condensed Matter and Materials Physics 74 (2), 024408, 2006 | 330 | 2006 |
| Structural and dielectric properties of amorphous and D Ceresoli, D Vanderbilt Physical Review B—Condensed Matter and Materials Physics 74 (12), 125108, 2006 | 205 | 2006 |
| Structural and dielectric properties of crystalline and amorphous ZrO2 D Vanderbilt, X Zhao, D Ceresoli Thin Solid Films 486 (1-2), 125-128, 2005 | 202 | 2005 |
| Structural, electronic, and dielectric properties of amorphous from ab initio molecular dynamics X Zhao, D Ceresoli, D Vanderbilt Physical Review B—Condensed Matter and Materials Physics 71 (8), 085107, 2005 | 179 | 2005 |
| Two-membered silicon rings on the dehydroxylated surface of silica D Ceresoli, M Bernasconi, S Iarlori, M Parrinello, E Tosatti Physical review letters 84 (17), 3887, 2000 | 179 | 2000 |
| Exploiting the Photonic Crystal Properties of TiO2 Nanotube Arrays To Enhance Photocatalytic Hydrogen Production GL Chiarello, A Zuliani, D Ceresoli, R Martinazzo, E Selli Acs Catalysis 6 (2), 1345-1353, 2016 | 148 | 2016 |
| Near‐IR Emitting Iridium (III) Complexes with Heteroaromatic β‐Diketonate Ancillary Ligands for Efficient Solution‐Processed OLEDs: Structure–Property Correlations S Kesarkar, W Mróz, M Penconi, M Pasini, S Destri, M Cazzaniga, ... Angewandte Chemie International Edition 55 (8), 2714-2718, 2016 | 142 | 2016 |
| Dehydroxylation and silanization of the surfaces of β-cristobalite silica: an ab initio simulation S Iarlori, D Ceresoli, M Bernasconi, D Donadio, M Parrinello The Journal of Physical Chemistry B 105 (33), 8007-8013, 2001 | 129 | 2001 |
| Rare earth doped ceria: The complex connection between structure and properties M Coduri, S Checchia, M Longhi, D Ceresoli, M Scavini Frontiers in chemistry 6, 526, 2018 | 128 | 2018 |
| Playing quantum hide-and-seek with the muon: localizing muon stopping sites JS Möller, P Bonfà, D Ceresoli, F Bernardini, SJ Blundell, T Lancaster, ... Physica Scripta 88 (6), 068510, 2013 | 102 | 2013 |
| Gerstmann u P Giannozzi, S Baroni, N Bonini, M Calandra, D Ceresoli, GL Chiarotti, ... Gougousis C., Kokalj A., Lazzeri M., Martin-Samos L., Marzari N., Mauri F …, 2009 | 101 | 2009 |
| AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians AR Supka, TE Lyons, L Liyanage, P D’Amico, RAR Al Orabi, S Mahatara, ... Computational Materials Science 136, 76-84, 2017 | 94 | 2017 |
| First-principles theory of orbital magnetization D Ceresoli, U Gerstmann, AP Seitsonen, F Mauri Physical Review B—Condensed Matter and Materials Physics 81 (6), 060409, 2010 | 86 | 2010 |
| Quantum states of muons in fluorides JS Möller, D Ceresoli, T Lancaster, N Marzari, SJ Blundell Physical Review B—Condensed Matter and Materials Physics 87 (12), 121108, 2013 | 82 | 2013 |
| NCImilano: an electron-density-based code for the study of noncovalent interactions G Saleh, L Lo Presti, C Gatti, D Ceresoli Journal of Applied Crystallography 46 (5), 1513-1517, 2013 | 72 | 2013 |
| A converse approach to the calculation of NMR shielding tensors T Thonhauser, D Ceresoli, AA Mostofi, N Marzari, R Resta, D Vanderbilt The Journal of Chemical Physics 131 (10), 2009 | 69 | 2009 |
| Local Structure and Magnetism of Fe2O3 Maghemite Nanocrystals: The Role of Crystal Dimension M Coduri, P Masala, L Del Bianco, F Spizzo, D Ceresoli, C Castellano, ... Nanomaterials 10 (5), 867, 2020 | 67 | 2020 |
Erio TosattiTheoretical Condensed Matter Physicistایمیل تأیید شده در sissa.it