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Stefano Baroni
Stefano Baroni
professor of theoretical condensed-matter physics, SISSA, Trieste
Adresse e-mail validée de sissa.it - Page d'accueil
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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
259362009
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
86682001
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
55752017
Green’s-function approach to linear response in solids
S Baroni, P Giannozzi, A Testa
Physical review letters 58 (18), 1861, 1987
22851987
Ab initio calculation of phonon dispersions in semiconductors
P Giannozzi, S De Gironcoli, P Pavone, S Baroni
Physical Review B 43 (9), 7231, 1991
20561991
Quantum ESPRESSO toward the exascale
P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ...
The Journal of chemical physics 152 (15), 2020
7752020
Band offsets in lattice-matched heterojunctions: a model and first-principles calculations for GaAs/AlAs
A Baldereschi, S Baroni, R Resta
Physical review letters 61 (6), 734, 1988
6271988
Ab initio calculation of the macroscopic dielectric constant in silicon
S Baroni, R Resta
Physical Review B 33 (10), 7017, 1986
5421986
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
4672005
Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation
I Štich, R Car, M Parrinello, S Baroni
Physical Review B 39 (8), 4997, 1989
4341989
Anharmonic phonon lifetimes in semiconductors from density-functional perturbation theory
A Debernardi, S Baroni, E Molinari
Physical review letters 75 (9), 1819, 1995
4291995
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
4042005
Ab initio lattice dynamics of diamond
P Pavone, K Karch, O Schütt, D Strauch, W Windl, P Giannozzi, S Baroni
Physical Review B 48 (5), 3156, 1993
3541993
Atomic Structure and Vibrational Properties of Icosahedral B_ {4} C Boron Carbide
R Lazzari, N Vast, JM Besson, S Baroni, A Dal Corso
Physical review letters 83 (16), 3230-3233, 1999
3421999
A novel technique for the simulation of interacting fermion systems
S Sorella, S Baroni, R Car, M Parrinello
Europhysics Letters 8 (7), 663, 1989
3411989
High-pressure lattice dynamics and thermoelasticity of MgO
BB Karki, RM Wentzcovitch, S De Gironcoli, S Baroni
Physical Review B 61 (13), 8793, 2000
3392000
density functional perturbation theory for quasirharmonic calculaions
S Baroni
3052010
Reptation quantum Monte Carlo: A method for unbiased ground-state averages and imaginary-time correlations
S Baroni, S Moroni
Physical review letters 82 (24), 4745, 1999
2841999
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
2771993
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
2701999
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