by Leon Petit | Apr 4, 2023 | Uncategorised
CRYSTAL23 v1.0.1, a powerful and scalable computational tool for solid state chemistry and physics was released on 19 December 2022. The code is described in a special issue of Journal of Theory and Computation, https://doi.org/10.1021/acs.jctc.2c00958. Details how to...
by Leon Petit | Sep 4, 2022 | Uncategorised
Manuel Dos Santos Dias has recently joined the Daresbury CCP9 group. He was previously stationed at Forschungszentrum Juelich with expertise among others in magnetism and magnetic...
by Leon Petit | Sep 2, 2022 | Psi-k highlight
Non-linear response of solids and nanostructures: a real-time prospective by Claudio Attaccalite, Davide Sangalli, Myrta Gruening In recent years many theoretical approaches and computational codes have been developed to study optical response of bulk materials,...
