Stefano Baroni
Stefano Baroni
professor of theoretical condensed-matter physics, SISSA, Trieste
Verified email at sissa.it - Homepage
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
130202009
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
51062001
Green’s-function approach to linear response in solids
S Baroni, P Giannozzi, A Testa
Physical review letters 58 (18), 1861, 1987
16771987
Ab initio calculation of phonon dispersions in semiconductors
P Giannozzi, S De Gironcoli, P Pavone, S Baroni
Physical Review B 43 (9), 7231, 1991
15521991
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
5191988
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
4952017
Ab initio calculation of the macroscopic dielectric constant in silicon
S Baroni, R Resta
Physical Review B 33 (10), 7017, 1986
3821986
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
3702005
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
3621989
Anharmonic phonon lifetimes in semiconductors from density-functional perturbation theory
A Debernardi, S Baroni, E Molinari
Physical review letters 75 (9), 1819, 1995
3291995
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
3072005
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
2941993
High-pressure lattice dynamics and thermoelasticity of MgO
BB Karki, RM Wentzcovitch, S De Gironcoli, S Baroni
Physical Review B 61 (13), 8793, 2000
2772000
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
2761999
A novel technique for the simulation of interacting fermion systems
S Sorella, S Baroni, R Car, M Parrinello
EPL (Europhysics Letters) 8 (7), 663, 1989
2641989
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
2571999
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
2241999
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
2211989
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
2211989
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
2191993
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