DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
- 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
Combined friction force microscopy and quantum chemical investigation of the tribotronic response at the propylammonium nitrate–graphite interface
- 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
- Creator: Page, A. J. , Ding, F. , Irle, S. , Morokuma, K.
- Resource Type: journal article
- Date: 2015