Blar i NTNU Open på forfatter "Vegge, Tejs"
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CLEASE: a versatile and user-friendly implementation of cluster expansion method
Chang, Jin Hyun; Kleiven, David; Melander, Marko; Akola, Jaakko; Garcia-Lastra, Juan Maria; Vegge, Tejs (Journal article; Peer reviewed, 2019)Materials exhibiting a substitutional disorder such as multicomponent alloys and mixed metal oxides/oxyfluorides are of great importance in many scientific and technological sectors. Disordered materials constitute an ... -
Training sets based on uncertainty estimates in the cluster-expansion method
Kleiven, David; Akola, Jaakko; Peterson, Andrew A.; Vegge, Tejs; Chang, Jin Hyun (Peer reviewed; Journal article, 2021)Cluster expansion (CE) has gained an increasing level of popularity in recent years, and its applications go far beyond its original root in binary alloys, reaching even complex crystalline systems often used in energy ...