Theory - Publicaciones del año 2022

4. I. de Luzuriaga, S. Elleuchi, K. Jarraya, E. Artacho, X. Lopez and A. Gil
Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules

3. B. Gu, D. Munoz-Santiburcio, F. Cleri, E. Artacho, J. Kohanoff and F. Da Pieve
Radiation Physics And Chemistry 193, 109961 (2022)
Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor

2. B. Kumanek, K. Milowska, L. Przypis, G. Stando, K. Matuszek, D. MacFarlane, M. Payne and D. Janas
ACS Applied Materials & Interfaces 14, 25861 (2022)
Doping Engineering of Single-Walled Carbon Nanotubes by Nitrogen Compounds Using Basicity and Alignment.

1. J. Halliday and E. Artacho
SciPost Physics 12, 020 (2022)
Manifold curvature and Ehrenfest forces with a moving basis