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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

Python script that reads a metadata text file, creates a SampleDB entry, and uploads files if desired.

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

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

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.

Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/

Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/

UNIFIT is a highly flexible program for fitting theories to experimental data.

Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/

Nodes to be shared in IAS-1