Stefano de Gironcoli

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Stefano Baroniprofessor of theoretical condensed-matter physics, SISSA, TriesteVerified email at sissa.it
Paolo GiannozziDMIF, University of Udine, and IOM-CNR, TriesteVerified email at uniud.it
Dal Corso AndreaSISSAVerified email at sissa.it
Matteo CococcioniUniversity of PaviaVerified email at unipv.it
Renata WentzcovitchProfessor of Material Physics, Department of Applied Physics and Applied Mathematics, Columbia UniversityVerified email at columbia.edu
Anton KokaljDepartment of Physical and Organic Chemistry, Jožef Stefan InstituteVerified email at ijs.si
Pietro DelugasSISSAVerified email at sissa.it
Emine KucukbenliInternational School for Advanced Studies (SISSA), TriesteVerified email at sissa.it
Pasquale PavoneSenior Staff Scientist, Humboldt-Universität zu BerlinVerified email at physik.hu-berlin.de
Stefano FabrisNational Research Council, Istituto Officina dei MaterialiVerified email at iom.cnr.it
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)Verified email at epfl.ch
Erik VesselliUniversità degli Studi di TriesteVerified email at iom.cnr.it
Elisa MOLINARIUniversity of Modena and Reggio Emilia & CNR-Nano, Modena, ItalyVerified email at unimore.it
Alessandro BaraldiFull Professor of Experimental Condensed Matter Physics, Physics Department, University of TriesteVerified email at units.it
Ivan CarnimeoScuola Internazionale Superiore di Studi Avanzati (SISSA)Verified email at sissa.it
giovanni comelliUniversity of TriesteVerified email at elettra.eu
Andrea FlorisSenior Lecturer, University of LincolnVerified email at lincoln.ac.uk
Roberto CarRalph W Dornte Professor in Chemistry, Princeton University Verified email at princeton.edu
Guido FratesiPhysics Department, Milano University, ItalyVerified email at unimi.it
Nicola ColonnaSenior Scientist, Laboratory for Materials Simulations, PSIVerified email at psi.ch

Stefano de Gironcoli

International School for Advanced Studies (SISSA), Trieste

Verified email at sissa.it

Computational Condensed Matter Physics first-principles calculations density functional theory electronic structure


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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	29233	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	9650	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	7399	2017
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	3730	2005
Ab initio calculation of phonon dispersions in semiconductors P Giannozzi, S de Gironcoli, P Pavone, S Baroni Physical Review B 43 (9), 7231, 1991	2182	1991
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	1328	2016
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	1298	2020
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	829	2014
Nonlocal van der Waals density functional made simple and efficient R Sabatini, T Gorni, S De Gironcoli Physical Review B—Condensed Matter and Materials Physics 87 (4), 041108, 2013	650	2013
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—Condensed Matter and Materials Physics 71 (4), 041102, 2005	486	2005
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	427	2005
High-pressure lattice dynamics and thermoelasticity of MgO BB Karki, RM Wentzcovitch, S de Gironcoli, S Baroni Physical Review B 61 (13), 8793, 2000	355	2000
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	318	2006
Lattice dynamics of metals from density-functional perturbation theory S de Gironcoli Physical Review B 51 (10), 6773, 1995	318	1995
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	294	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	276	1999
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	271	2004
First-principles codes for computational crystallography in the Quantum-ESPRESSO package S Scandolo, P Giannozzi, C Cavazzoni, S de Gironcoli, A Pasquarello, ... Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 574-579, 2005	264	2005
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	258	1989
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—Condensed Matter and Materials Physics 72 (23), 237102, 2005	215	2005

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