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Anomalous pressure-induced transition(s) in ice XI.
Umemoto K, Wentzcovitch RM, Baroni S, de Gironcoli S. Umemoto K, et al. Among authors: de gironcoli s. Phys Rev Lett. 2004 Mar 12;92(10):105502. doi: 10.1103/PhysRevLett.92.105502. Epub 2004 Mar 12. Phys Rev Lett. 2004. PMID: 15089212
Templated growth of metal-organic coordination chains at surfaces.
Classen T, Fratesi G, Costantini G, Fabris S, Stadler FL, Kim C, de Gironcoli S, Baroni S, Kern K. Classen T, et al. Among authors: de gironcoli s. Angew Chem Int Ed Engl. 2005 Sep 26;44(38):6142-5. doi: 10.1002/anie.200502007. Angew Chem Int Ed Engl. 2005. PMID: 16175528 Free article. No abstract available.
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.
Giannozzi P, Baroni S, Bonini N, Calandra M, Car R, Cavazzoni C, Ceresoli D, Chiarotti GL, Cococcioni M, Dabo I, Dal Corso A, de Gironcoli S, Fabris S, Fratesi G, Gebauer R, Gerstmann U, Gougoussis C, Kokalj A, Lazzeri M, Martin-Samos L, Marzari N, Mauri F, Mazzarello R, Paolini S, Pasquarello A, Paulatto L, Sbraccia C, Scandolo S, Sclauzero G, Seitsonen AP, Smogunov A, Umari P, Wentzcovitch RM. Giannozzi P, et al. Among authors: de gironcoli s. J Phys Condens Matter. 2009 Sep 30;21(39):395502. doi: 10.1088/0953-8984/21/39/395502. Epub 2009 Sep 1. J Phys Condens Matter. 2009. PMID: 21832390
Advanced capabilities for materials modelling with Quantum ESPRESSO.
Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio RA Jr, Ferretti A, Floris A, Fratesi G, Fugallo G, Gebauer R, Gerstmann U, Giustino F, Gorni T, Jia J, Kawamura M, Ko HY, Kokalj A, Küçükbenli E, Lazzeri M, Marsili M, Marzari N, Mauri F, Nguyen NL, Nguyen HV, Otero-de-la-Roza A, Paulatto L, Poncé S, Rocca D, Sabatini R, Santra B, Schlipf M, Seitsonen AP, Smogunov A, Timrov I, Thonhauser T, Umari P, Vast N, Wu X, Baroni S. Giannozzi P, et al. Among authors: de gironcoli s. J Phys Condens Matter. 2017 Nov 22;29(46):465901. doi: 10.1088/1361-648X/aa8f79. Epub 2017 Oct 24. J Phys Condens Matter. 2017. PMID: 29064822 Free article.
56 results