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The CRYSTAL code, 1976-2020 and beyond, a long story.
Dovesi R, Pascale F, Civalleri B, Doll K, Harrison NM, Bush I, D'Arco P, Noël Y, Rérat M, Carbonnière P, Causà M, Salustro S, Lacivita V, Kirtman B, Ferrari AM, Gentile FS, Baima J, Ferrero M, Demichelis R, De La Pierre M. Dovesi R, et al. Among authors: bush i. J Chem Phys. 2020 May 29;152(20):204111. doi: 10.1063/5.0004892. J Chem Phys. 2020. PMID: 32486670
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry.
Erba A, Desmarais JK, Casassa S, Civalleri B, Donà L, Bush IJ, Searle B, Maschio L, Edith-Daga L, Cossard A, Ribaldone C, Ascrizzi E, Marana NL, Flament JP, Kirtman B. Erba A, et al. Among authors: bush ij. J Chem Theory Comput. 2023 Oct 24;19(20):6891-6932. doi: 10.1021/acs.jctc.2c00958. Epub 2022 Dec 11. J Chem Theory Comput. 2023. PMID: 36502394 Free PMC article. Review.
Barely sufficient practices in scientific computing.
Lee G, Bacon S, Bush I, Fortunato L, Gavaghan D, Lestang T, Morton C, Robinson M, Rocca-Serra P, Sansone SA, Webb H. Lee G, et al. Among authors: bush i. Patterns (N Y). 2021 Feb 12;2(2):100206. doi: 10.1016/j.patter.2021.100206. eCollection 2021 Feb 12. Patterns (N Y). 2021. PMID: 33659915 Free PMC article.
174 results