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., Dumitric, T., Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J., Irle, S., Kranz, J. J., Köhler, C., Kowalczyk, T., Kubar, T., Lee, I. S., Page, A. J., Lutsker, V., Maurer, RJ, Min, SK, Mitchell, I, Negre, C, Niehaus, TA, Niklasson, AMN, Pecchia, A, Penazzi, G, Persson, MP, Řezáč, J, Sánchez, CG, Sternberg, M, Stöhr, M, Stuckenberg, F, Tkatchenko, A, Yu, VWZ, Frauenheim, T
- Creator: Hourahine, B. , Aradi, B. , Blum, V. , Bonafé, F. , Buccheri, A. , Camacho, C. , Cevallos, C. , Deshaye, M. Y. , Dumitric, T. , Dominguez, A. , Ehlert, S. , Elstner, M. , van der Heide, T. , Hermann, J. , Irle, S. , Kranz, J. J. , Köhler, C. , Kowalczyk, T. , Kubar, T. , Lee, I. S. , Page, A. J. , Lutsker, V. , Maurer, RJ , Min, SK , Mitchell, I , Negre, C , Niehaus, TA , Niklasson, AMN , Pecchia, A , Penazzi, G , Persson, MP , Řezáč, J , Sánchez, CG , Sternberg, M , Stöhr, M , Stuckenberg, F , Tkatchenko, A , Yu, VWZ , Frauenheim, T
- Resource Type: journal article
- Date: 2020
- Creator: Hourahine, B. , Aradi, B. , Blum, V. , Bonafé, F. , Buccheri, A. , Camacho, C. , Cevallos, C. , Deshaye, M. Y. , Dumitric, T. , Dominguez, A. , Ehlert, S. , Elstner, M. , van der Heide, T. , Hermann, J. , Irle, S. , Kranz, J. J. , Köhler, C. , Kowalczyk, T. , Kubar, T. , Lee, I. S. , Page, A. J. , Lutsker, V. , Maurer, RJ , Min, SK , Mitchell, I , Negre, C , Niehaus, TA , Niklasson, AMN , Pecchia, A , Penazzi, G , Persson, MP , Řezáč, J , Sánchez, CG , Sternberg, M , Stöhr, M , Stuckenberg, F , Tkatchenko, A , Yu, VWZ , Frauenheim, T
- Resource Type: journal article
- Date: 2020
Insights into carbon nanotube and graphene formation mechanisms from molecular simulations: a review
- Page, A. J., Ding, F., Irle, S., Morokuma, K.
- Creator: Page, A. J. , Ding, F. , Irle, S. , Morokuma, K.
- Resource Type: journal article
- Date: 2015
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