Stefano de Gironcoli
TitoloCitata daAnno
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
137342009
Phonons and related crystal properties from density-functional perturbation theory
S Baroni, S de Gironcoli, A Dal Corso, P Giannozzi
Reviews of Modern Physics 73 (2), 515, 2001
54282001
Linear response approach to the calculation of the effective interaction parameters in the LDA+ U method
M Cococcioni, S de Gironcoli
Physical Review B 71 (3), 035105, 2005
19142005
Ab initio calculation of phonon dispersions in semiconductors
P Giannozzi, S de Gironcoli, P Pavone, S Baroni
Physical Review B 43 (9), 7231, 1991
16161991
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
7562017
Taming multiple valency with density functionals: A case study of defective ceria
S Fabris, S de Gironcoli, S Baroni, G Vicario, G Balducci
Physical Review B 71 (4), 041102, 2005
3842005
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
3822016
Electronic and atomistic structures of clean and reduced ceria surfaces
S Fabris, G Vicario, G Balducci, S de Gironcoli, S Baroni
The Journal of Physical Chemistry B 109 (48), 22860-22867, 2005
3202005
Hubbard‐corrected DFT energy functionals: The LDA+ U description of correlated systems
B Himmetoglu, A Floris, S De Gironcoli, M Cococcioni
International Journal of Quantum Chemistry 114 (1), 14-49, 2014
2832014
High-pressure lattice dynamics and thermoelasticity of MgO
BB Karki, RM Wentzcovitch, S de Gironcoli, S Baroni
Physical Review B 61 (13), 8793, 2000
2822000
Nonlocal van der Waals density functional made simple and efficient
R Sabatini, T Gorni, S De Gironcoli
Physical Review B 87 (4), 041108, 2013
2582013
Lattice dynamics of metals from density-functional perturbation theory
S de Gironcoli
Physical Review B 51 (10), 6773, 1995
2541995
Spin transition in magnesiowüstite in Earth’s lower mantle
T Tsuchiya, RM Wentzcovitch, CRS Da Silva, S de Gironcoli
Physical review letters 96 (19), 198501, 2006
2502006
First-principles determination of elastic anisotropy and wave velocities of MgO at lower mantle conditions
BB Karki, RM Wentzcovitch, S de Gironcoli, S Baroni
Science 286 (5445), 1705-1707, 1999
2301999
Ab initio calculation of phonon dispersions in II-VI semiconductors
A Dal Corso, S Baroni, R Resta, S de Gironcoli
Physical Review B 47 (7), 3588, 1993
2291993
Piezoelectric properties of III-V semiconductors from first-principles linear-response theory
S de Gironcoli, S Baroni, R Resta
Physical review letters 62 (24), 2853, 1989
2241989
Thermoelastic Properties of MgSiO_ {3}-Perovskite: Insights on the Nature of the Earth’s Lower Mantle
RM Wentzcovitch, BB Karki, M Cococcioni, S de Gironcoli
Physical review letters 92 (1), 18501, 2004
2162004
Structure and thermodynamics of Si_ {x} Ge_ {1-x} alloys from ab initio Monte Carlo simulations
S de Gironcoli, P Giannozzi, S Baroni
Physical review letters 66 (16), 2116-2119, 1991
1841991
Reply to “Comment on ‘Taming multiple valency with density functionals: A case study of defective ceria'”
S Fabris, S de Gironcoli, S Baroni, G Vicario, G Balducci
Physical Review B 72 (23), 237102, 2005
1702005
First-principles calculation of the thermal properties of silver
J Xie, S de Gironcoli, S Baroni, M Scheffler
Physical Review B 59 (2), 965, 1999
1491999
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20