Broberg, Danny;
Bystrom, Kyle;
Srivastava, Shivani;
Dahliah, Diana;
Williamson, Benjamin AD;
Weston, Leigh;
Scanlon, David O;
... Hautier, Geoffroy; + view all
(2023)
High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications.
npj Computational Materials
, 9
(1)
, Article 72. 10.1038/s41524-023-01015-6.