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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

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

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

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

Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory

This are the Torch models from CAM originated from Giacomo Pedretti

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

Literature review on machine learning density functional theory (ML-DFT) and related topics

Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).

Workthrough by Johannes Wasmer of tutorial. Davis David. How to Write Configuration Files in Your Machine Learning Project. Medium. 2020.

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