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Code for generation & analysis of an AiiDA database of single impurity embeddings into elemental crystals

Doctoral thesis (dissertation) of J. Wasmer's PhD project "Development of a surrogate machine learning model for the acceleration of first-principles calculations". Monograph.

Nodes to be shared in IAS-1

McStas representation for the bispectral direct geometry chopper instrument T-REX at the European Spallation Source ESS in Lund, Sweden

This are the Torch models from CAM originated from Giacomo Pedretti

Notes from JW’s participation in The Carpentries course “Instructor Training”, date Mar 4-5, 2024.