Stefano de Gironcoli

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Stefano Baroniprofessor of theoretical condensed-matter physics, SISSA, TriesteAdresse e-mail validée de sissa.it
Paolo GiannozziDMIF, University of Udine, and IOM-CNR, TriesteAdresse e-mail validée de uniud.it
Dal Corso AndreaSISSAAdresse e-mail validée de sissa.it
Matteo CococcioniUniversity of PaviaAdresse e-mail validée de unipv.it
Renata WentzcovitchProfessor of Material Physics, Department of Applied Physics and Applied Mathematics, Columbia UniversityAdresse e-mail validée de columbia.edu
Anton KokaljDepartment of Physical and Organic Chemistry, Jožef Stefan InstituteAdresse e-mail validée de ijs.si
Emine KucukbenliInternational School for Advanced Studies (SISSA), TriesteAdresse e-mail validée de sissa.it
Pietro DelugasSISSAAdresse e-mail validée de sissa.it
Pasquale PavoneSenior Staff Scientist, Humboldt-Universität zu BerlinAdresse e-mail validée de physik.hu-berlin.de
Andrea FerrettiSenior researcher, Nanoscience insitute, cnrAdresse e-mail validée de nano.cnr.it
Stefano FabrisNational Research Council, Istituto Officina dei MaterialiAdresse e-mail validée de iom.cnr.it
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)Adresse e-mail validée de epfl.ch
Elisa MOLINARIUniversity of Modena and Reggio Emilia & CNR-Nano, Modena, ItalyAdresse e-mail validée de unimore.it
Alessandro BaraldiFull Professor of Experimental Condensed Matter Physics, Physics Department, University of TriesteAdresse e-mail validée de units.it
Erik VesselliUniversità degli Studi di TriesteAdresse e-mail validée de iom.cnr.it
giovanni comelliUniversity of TriesteAdresse e-mail validée de elettra.eu
Roberto CarRalph W Dornte Professor in Chemistry, Princeton University Adresse e-mail validée de princeton.edu
Nicola ColonnaSenior Scientist, Laboratory for Materials Simulations, PSIAdresse e-mail validée de psi.ch
Ivan CarnimeoUniversita' di UdineAdresse e-mail validée de sissa.it
Andrea FlorisSenior Lecturer, University of LincolnAdresse e-mail validée de lincoln.ac.uk

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Stefano de Gironcoli

International School for Advanced Studies (SISSA), Trieste

Adresse e-mail validée de sissa.it

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


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	26601	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	8850	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	5885	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	3393	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	2083	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	1024	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	868	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	721	2014
Nonlocal van der Waals density functional made simple and efficient R Sabatini, T Gorni, S De Gironcoli Physical Review B 87 (4), 041108, 2013	574	2013
MJ vanSetten, V. Van Speybroeck, JM Wills, JR Yates, GX Zhang, S. Cottenier, Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, S Blugel, V Blum, ... Science 351, 1415-U1481, 2016	474*	2016
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	473	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	410	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	341	2000
Lattice dynamics of metals from density-functional perturbation theory S de Gironcoli Physical Review B 51 (10), 6773, 1995	313	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	309	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	279	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	268	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	259	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	250	1989
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	238	2005

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