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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: ferretti a. 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.
Screening in Orbital-Density-Dependent Functionals.
Colonna N, Nguyen NL, Ferretti A, Marzari N. Colonna N, et al. Among authors: ferretti a. J Chem Theory Comput. 2018 May 8;14(5):2549-2557. doi: 10.1021/acs.jctc.7b01116. Epub 2018 Apr 4. J Chem Theory Comput. 2018. PMID: 29494151
Many-body perturbation theory calculations using the yambo code.
Sangalli D, Ferretti A, Miranda H, Attaccalite C, Marri I, Cannuccia E, Melo P, Marsili M, Paleari F, Marrazzo A, Prandini G, Bonfà P, Atambo MO, Affinito F, Palummo M, Molina-Sánchez A, Hogan C, Grüning M, Varsano D, Marini A. Sangalli D, et al. Among authors: ferretti a. J Phys Condens Matter. 2019 Aug 14;31(32):325902. doi: 10.1088/1361-648X/ab15d0. Epub 2019 Apr 3. J Phys Condens Matter. 2019. PMID: 30943462 Free article.
Quantum ESPRESSO toward the exascale.
Giannozzi P, Baseggio O, Bonfà P, Brunato D, Car R, Carnimeo I, Cavazzoni C, de Gironcoli S, Delugas P, Ferrari Ruffino F, Ferretti A, Marzari N, Timrov I, Urru A, Baroni S. Giannozzi P, et al. Among authors: ferretti a. J Chem Phys. 2020 Apr 21;152(15):154105. doi: 10.1063/5.0005082. J Chem Phys. 2020. PMID: 32321275
891 results