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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.
Hourahine B, Aradi B, Blum V, Bonafé F, Buccheri A, Camacho C, Cevallos C, Deshaye MY, Dumitrică T, Dominguez A, Ehlert S, Elstner M, van der Heide T, Hermann J, Irle S, Kranz JJ, Köhler C, Kowalczyk T, Kubař T, Lee IS, Lutsker V, Maurer RJ, Min SK, Mitchell I, Negre C, Niehaus TA, Niklasson AMN, Page AJ, Pecchia A, Penazzi G, Persson MP, Řezáč J, Sánchez CG, Sternberg M, Stöhr M, Stuckenberg F, Tkatchenko A, Yu VW, Frauenheim T. Hourahine B, et al. Among authors: blum v. J Chem Phys. 2020 Mar 31;152(12):124101. doi: 10.1063/1.5143190. J Chem Phys. 2020. PMID: 32241125 Free article.
Thickness control of organic semiconductor-incorporated perovskites.
Park JY, Song R, Liang J, Jin L, Wang K, Li S, Shi E, Gao Y, Zeller M, Teat SJ, Guo P, Huang L, Zhao YS, Blum V, Dou L. Park JY, et al. Among authors: blum v. Nat Chem. 2023 Dec;15(12):1745-1753. doi: 10.1038/s41557-023-01311-0. Epub 2023 Aug 31. Nat Chem. 2023. PMID: 37653228
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: blum v. J Chem Phys. 2020 Jul 14;153(2):024117. doi: 10.1063/5.0012901. J Chem Phys. 2020. PMID: 32668924 Free article.
131 results