Stefano de Gironcoli

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Stefano Baroniprofessor of theoretical condensed-matter physics, SISSA, TriesteE-mail confirmado em sissa.it
Paolo GiannozziDMIF, University of Udine, and IOM-CNR, TriesteE-mail confirmado em uniud.it
Dal Corso AndreaSISSAE-mail confirmado em sissa.it
Matteo CococcioniUniversity of PaviaE-mail confirmado em unipv.it
Renata WentzcovitchProfessor of Material Physics, Department of Applied Physics and Applied Mathematics, Columbia UniversityE-mail confirmado em columbia.edu
Anton KokaljDepartment of Physical and Organic Chemistry, Jožef Stefan InstituteE-mail confirmado em ijs.si
Pietro DelugasSISSAE-mail confirmado em sissa.it
Emine KucukbenliInternational School for Advanced Studies (SISSA), TriesteE-mail confirmado em sissa.it
Stefano FabrisNational Research Council, Istituto Officina dei MaterialiE-mail confirmado em iom.cnr.it
Pasquale PavoneSenior Staff Scientist, Humboldt-Universität zu BerlinE-mail confirmado em physik.hu-berlin.de
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)E-mail confirmado em epfl.ch
Roberto CarRalph W Dornte Professor in Chemistry, Princeton University E-mail confirmado em princeton.edu
Erik VesselliUniversità degli Studi di TriesteE-mail confirmado em iom.cnr.it
Alessandro BaraldiFull Professor of Experimental Condensed Matter Physics, Physics Department, University of TriesteE-mail confirmado em units.it
Elisa MOLINARIUniversity of Modena and Reggio Emilia & CNR-Nano, Modena, ItalyE-mail confirmado em unimore.it
Layla Martin-SamosResearcher CNR-IOM DemocritosE-mail confirmado em sissa.it
Ivan CarnimeoScuola Internazionale Superiore di Studi Avanzati (SISSA)E-mail confirmado em sissa.it
giovanni comelliUniversity of TriesteE-mail confirmado em elettra.eu
Andrea FlorisSenior Lecturer, University of LincolnE-mail confirmado em lincoln.ac.uk
Nicola ColonnaSenior Scientist, Laboratory for Materials Simulations, PSIE-mail confirmado em psi.ch

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Stefano de Gironcoli

International School for Advanced Studies (SISSA), Trieste

E-mail confirmado em 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 quantumsimulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Journal of physics: Condensed matter 21 (39), 395502, 2009	31285	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	10120	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	8285	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	3913	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	2204	1991
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	1536	2020
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	1419	2016
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	906	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	696	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	488	2005
V. peybroeck, JM Wills, JR Yates, GX Zhang, S. Cottenier K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351, 1415-1423, 2016	452	2016
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	436	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	367	2000
Lattice dynamics of metals from density-functional perturbation theory S de Gironcoli Physical Review B 51 (10), 6773, 1995	326	1995
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	323	2006
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	296	1993
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	285	2005
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	282	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	273	2004
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	259	1989

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