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Page 1
Siesta: Recent developments and applications.
García A, Papior N, Akhtar A, Artacho E, Blum V, Bosoni E, Brandimarte P, Brandbyge M, Cerdá JI, Corsetti F, Cuadrado R, Dikan V, Ferrer J, Gale J, García-Fernández P, García-Suárez VM, García S, Huhs G, Illera S, Korytár R, Koval P, Lebedeva I, Lin L, López-Tarifa P, Mayo SG, Mohr S, Ordejón P, Postnikov A, Pouillon Y, Pruneda M, Robles R, Sánchez-Portal D, Soler JM, Ullah R, Yu VW, Junquera J. García A, et al. Among authors: artacho e. J Chem Phys. 2020 May 29;152(20):204108. doi: 10.1063/5.0005077. J Chem Phys. 2020. PMID: 32486661
The CECAM electronic structure library and the modular software development paradigm.
Oliveira MJT, Papior N, Pouillon Y, Blum V, Artacho E, Caliste D, Corsetti F, de Gironcoli S, Elena AM, García A, García-Suárez VM, Genovese L, Huhn WP, Huhs G, Kokott S, Küçükbenli E, Larsen AH, Lazzaro A, Lebedeva IV, Li Y, López-Durán D, López-Tarifa P, Lüders M, Marques MAL, Minar J, Mohr S, Mostofi AA, O'Cais A, Payne MC, Ruh T, Smith DGA, Soler JM, Strubbe DA, Tancogne-Dejean N, Tildesley D, Torrent M, Yu VW. Oliveira MJT, et al. Among authors: artacho e. J Chem Phys. 2020 Jul 14;153(2):024117. doi: 10.1063/5.0012901. J Chem Phys. 2020. PMID: 32668924 Free article.
Optimal finite-range atomic basis sets for liquid water and ice.
Corsetti F, Fernández-Serra MV, Soler JM, Artacho E. Corsetti F, et al. Among authors: artacho e. J Phys Condens Matter. 2013 Oct 30;25(43):435504. doi: 10.1088/0953-8984/25/43/435504. Epub 2013 Oct 9. J Phys Condens Matter. 2013. PMID: 24107552
Electrons and hydrogen-bond connectivity in liquid water.
Fernández-Serra MV, Artacho E. Fernández-Serra MV, et al. Among authors: artacho e. Phys Rev Lett. 2006 Jan 13;96(1):016404. doi: 10.1103/PhysRevLett.96.016404. Epub 2006 Jan 6. Phys Rev Lett. 2006. PMID: 16486489
Small polarons in dry DNA.
Alexandre SS, Artacho E, Soler JM, Chacham H. Alexandre SS, et al. Among authors: artacho e. Phys Rev Lett. 2003 Sep 5;91(10):108105. doi: 10.1103/PhysRevLett.91.108105. Epub 2003 Sep 5. Phys Rev Lett. 2003. PMID: 14525513
74 results