The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator
Abstract The ever increasing availability of supercomputing resources led computer-based materials science into a new era of high-throughput calculations. Recently, Pizzi et al. introduced the AiiDA framework that provides a way to automate calculations while allowing to store the full provenance of...
Enregistré dans:
| Auteurs principaux: | , , |
|---|---|
| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2021
|
| Sujets: | |
| Accès en ligne: | https://doaj.org/article/fe38b256144745348c68b38f01b9a662 |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|