Stefano Baroni

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Stefano de GironcoliInternational School for Advanced Studies (SISSA), TriesteVerified email at sissa.it
Dal Corso AndreaSISSAVerified email at sissa.it
Raffaele Restatrieste or pisa or purdue or lausanneVerified email at democritos.it
Stefano FabrisNational Research Council, Istituto Officina dei MaterialiVerified email at iom.cnr.it
Ralph GebauerInternational Centre for Theoretical Physics (ICTP)Verified email at ictp.it
Renata WentzcovitchDepartment of Chemical Engineering and Materials Science, University of MinnesotaVerified email at umn.edu
Roberto CarRalph W Dornte Professor in Chemistry, Princeton University Verified email at princeton.edu
Anton KokaljDepartment of Physical and Organic Chemistry, Jožef Stefan InstituteVerified email at ijs.si
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Paolo UmariUniversità degli Studi di PadovaVerified email at unipd.it
Iurii TimrovÉcole Polytechnique Fédérale de Lausanne (EPFL STI IMX THEOS)Verified email at epfl.ch
Klaus KernMax-Planck-Institute for Solid State Research and Ecole Polytechnique Fédérale de LausanneVerified email at fkf.mpg.de
sandro sorellaSISSA- International School of Advanced Studies DEMOCRITOS Simulation Centre CNR-IOMVerified email at sissa.it
Antonino Marco SaittaFull Professor - Director of the Institute for Mineralogy, Physics of Materials and CosmochemistryVerified email at upmc.fr
Dario AlfeProfessor of Physics at University College London and Universita' di Napoli Federico IIVerified email at ucl.ac.uk
BB KarkiProfessor, Computer Science, Geosciences, Louisiana State UniversityVerified email at csc.lsu.edu
Luciano ColomboUniversity of Cagliari (Italy)Verified email at unica.it
Dario RoccaQC Ware CorporationVerified email at qcware.com
Alberto DebernardiPrimo Ricercatore, CNR-IMM, sede Agrate BrianzaVerified email at mdm.imm.cnr.it
Erio TosattiTheoretical Condensed Matter PhysicistVerified email at sissa.it

Stefano Baroni

professor of theoretical condensed-matter physics, SISSA, Trieste

Verified email at sissa.it - Homepage

theoretical condensed-matter physics computational materials science


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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	21252	2009
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	7603	2001
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	3722	2017
Green’s-function approach to linear response in solids S Baroni, P Giannozzi, A Testa Physical review letters 58 (18), 1861, 1987	2109	1987
Ab initio calculation of phonon dispersions in semiconductors P Giannozzi, S De Gironcoli, P Pavone, S Baroni Physical Review B 43 (9), 7231, 1991	1871	1991
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	591	1988
Ab initio calculation of the macroscopic dielectric constant in silicon S Baroni, R Resta Physical Review B 33 (10), 7017, 1986	500	1986
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	440	2005
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	404	1989
Anharmonic phonon lifetimes in semiconductors from density-functional perturbation theory A Debernardi, S Baroni, E Molinari Physical review letters 75 (9), 1819, 1995	399	1995
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	377	2005
Quantum ESPRESSO toward the exascale P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ... The Journal of chemical physics 152 (15), 154105, 2020	358	2020
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	342	1993
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	327	1999
High-pressure lattice dynamics and thermoelasticity of MgO BB Karki, RM Wentzcovitch, S De Gironcoli, S Baroni Physical Review B 61 (13), 8793, 2000	323	2000
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	318	1989
density functional perturbation theory for quasirharmonic calculaions S Baroni	277	2010
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	277	1999
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	272	1993
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	262	1999

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