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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: scandolo 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
Surface trapped excess electrons on ice.
Baletto F, Cavazzoni C, Scandolo S. Baletto F, et al. Among authors: scandolo s. Phys Rev Lett. 2005 Oct 21;95(17):176801. doi: 10.1103/PhysRevLett.95.176801. Epub 2005 Oct 18. Phys Rev Lett. 2005. PMID: 16383853
Dimerization of CO2 at high pressure and temperature.
Tassone F, Chiarotti GL, Rousseau R, Scandolo S, Tosatti E. Tassone F, et al. Among authors: scandolo s. Chemphyschem. 2005 Sep 5;6(9):1752-6. doi: 10.1002/cphc.200400618. Chemphyschem. 2005. PMID: 16144001 No abstract available.
Trapping of excitons at chemical defects in polyethylene.
Ceresoli D, Tosatti E, Scandolo S, Santoro G, Serra S. Ceresoli D, et al. Among authors: scandolo s. J Chem Phys. 2004 Oct 1;121(13):6478-84. doi: 10.1063/1.1783876. J Chem Phys. 2004. PMID: 15446948
Carbon phase diagram from ab initio molecular dynamics.
Wang X, Scandolo S, Car R. Wang X, et al. Among authors: scandolo s. Phys Rev Lett. 2005 Oct 28;95(18):185701. doi: 10.1103/PhysRevLett.95.185701. Epub 2005 Oct 25. Phys Rev Lett. 2005. PMID: 16383918
57 results