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
29809 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
7701 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 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 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
147 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 Fe2 O3 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 PhysicistEmail verificata su sissa.it