DFTB+: 20.1

Ben Hourahine (Developer), Bálint Aradi (Developer), Alessandro Pecchia (Photographer), Sebastian Ehlert (Developer), Franco P. Bonafé (Developer), Jan Řezáč (Developer), Alex Buccheri (Developer), Julian J. Kranz (Developer), Adriel Dominguez (Developer), Tammo van der Heide (Developer), Thomas Kubař (Developer), Thomas Niehaus (Developer), Izaac Mitchell (Developer), Cristopher Camacho (Developer), Cristián G. Sánchez (Photographer), Bálint Aradi (Developer), Victor Yu (Developer), Caterina Cevallos (Developer), Chris Vitkun (Developer), Gabrielle Penazzi (Developer)Yuri Pankov

Research output: Non-textual formSoftware

Abstract

[Abstract unavailable]
Original languageEnglish
Place of Publication[Geneva]
Edition20.1
Media of outputOnline
Size5.6MB
DOIs
Publication statusPublished - 22 Jul 2020

Keywords

  • dftbplus/dftbplus
  • software
  • 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, M. Y., Dumitrică, T., Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J., Irle, S., Kranz, J. J., Köhler, C., Kowalczyk, T., Kubař, T., Lee, I. S. & 19 others, Lutsker, V., Maurer, R. J., Min, S. K., Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J., Pecchia, A., Penazzi, G., Persson, M. P., Řezáč, J., Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W. . & Frauenheim, T., 31 Mar 2020, In: Journal of Chemical Physics. 152, 12, 19 p., 124101.

    Research output: Contribution to journalArticlepeer-review

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