Davide Ceresoli
Davide Ceresoli
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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
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
Orbital magnetization in periodic insulators
T Thonhauser, D Ceresoli, D Vanderbilt, R Resta
Physical review letters 95 (13), 137205, 2005
Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals
D Ceresoli, T Thonhauser, D Vanderbilt, R Resta
Physical Review B 74 (2), 024408, 2006
Structural and dielectric properties of amorphous ZrO 2 and HfO 2
D Ceresoli, D Vanderbilt
Physical Review B 74 (12), 125108, 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
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
Structural, electronic, and dielectric properties of amorphous Zr O 2 from ab initio molecular dynamics
X Zhao, D Ceresoli, D Vanderbilt
Physical Review B 71 (8), 085107, 2005
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
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
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
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
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
Playing quantum hide-and-seek with the muon: localizing muon stopping sites
JS Möller, P Bonfŕ, D Ceresoli, F Bernardini, SJ Blundell, T Lancaster, ...
Physica Scripta 88 (6), 068510, 2013
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
First-principles theory of orbital magnetization
D Ceresoli, U Gerstmann, AP Seitsonen, F Mauri
Physical Review B 81 (6), 060409, 2010
Quantum states of muons in fluorides
JS Möller, D Ceresoli, T Lancaster, N Marzari, SJ Blundell
Physical Review B 87 (12), 121108, 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
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
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
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