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aiida-kkr-ml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method

Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io

Nodes to be shared in IAS-1

Release version of a Java based GUI for case creation and SolutionMonitor for containmentFoam

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-6. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-11. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-9. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

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

Course HDSLEE Introduction and Fundamentals of Machine Learning

Repository containing utilities for creating documentations.

Repository containing utilities for creating documentations.

Repository containing utilities for creating documentations.

Code for generation & analysis of an AiiDA database of double transition metal impurity embeddings into the topological insulator Bi2Te3.

Fork of https://iffgit.fz-juelich.de/mozumder/Master_Thesis_Mozumder .