Stefano de Gironcoli
TitleCited byYear
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
121782009
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
48572001
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
17112005
Ab initio calculation of phonon dispersions in semiconductors
P Giannozzi, S de Gironcoli, P Pavone, S Baroni
Physical Review B 43 (9), 7231, 1991
15171991
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
3682005
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
3102017
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
2992005
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
2692016
High-pressure lattice dynamics and thermoelasticity of MgO
BB Karki, RM Wentzcovitch, S de Gironcoli, S Baroni
Physical Review B 61 (13), 8793, 2000
2692000
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
2422006
Lattice dynamics of metals from density-functional perturbation theory
S de Gironcoli
Physical Review B 51 (10), 6773, 1995
2421995
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
2382014
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
2201999
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
2161993
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
2062004
Nonlocal van der Waals density functional made simple and efficient
R Sabatini, T Gorni, S De Gironcoli
Physical Review B 87 (4), 041108, 2013
1902013
S. de Gironcoli, S. Baroni, and R. Resta, Phys. Rev. Lett. 62, 2853 (1989).
S de Gironcoli
Phys. Rev. Lett. 62, 2853, 1989
1881989
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
1522005
S. de Gironcoli, P. Giannozzi and S. Baroni, Phys. Rev. Lett. 66, 2116 (1991).
S De Gironcoli
Phys. Rev. Lett. 66, 2116, 1991
1511991
Ab initio lattice dynamics of MgSiO_ {3} perovskite at high pressure
BB Karki, RM Wentzcovitch, S de Gironcoli, S Baroni
Physical Review B 62 (22), 14750, 2000
1472000
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Articles 1–20