HIGHLIGHTS
- who: Isabel Pietka and collaborators from the Ruhr University Bochum, Germany have published the paper: strucscan: A lightweight Python-based framework for high-throughput material simulation, in the Journal: (JOURNAL) of 27/06/2022
SUMMARY
A common challenge at the atomic scale is the need for large numbers of calculations to sample, e_g, different chemical compositions, different crystal_structures or different simulation settings. Typical examples of the required high-throughput calculations are (i) the sampling of the combinatorial space of structure and composition for determining the most stable structure of a mixture of chemical . . .
If you want to have access to all the content you need to log in!
Thanks :)
If you don't have an account, you can create one here.