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
The influence of hydrogen on transition metal - catalysed graphene nucleation
- Creator: Mitchell, I. , Page, A. J.
- Resource Type: journal article
- Date: 2018
- Creator: Mitchell, I. , Page, A. J.
- Resource Type: journal article
- Date: 2018
- Li, H., Atkin, R., Page, A. J.
- Creator: Li, H. , Atkin, R. , Page, A. J.
- Resource Type: journal article
- Date: 2015
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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