Theory - 2022 year publications

6. P. Aguado-Puente and P. Chudzinski
Physical Review B 106, L081103 (2022)
Thermal topological phase transition in SnTe from ab initio calculations
This is the author's version of the paper after peer review

5. M. Famili, N. Forcellini and E. Artacho
Physical Review B 105, 245139 (2022)
Local orbital formulation of the Floquet theory of projectile electronic stopping
Copyright by the American Physical Society. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the APS.

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