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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
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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
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Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io
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Working of kkr_combine_imps_wc , CPA calculation and ML that includes:
kkr_combine_imps_wc calculations, data and relevant plots CPA calculations, data and plot ML approachUpdated -
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Release version of a Java based GUI for case creation and SolutionMonitor for containmentFoam
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Tool for synching config files between several hosts. It manages differences between systems with Git branches.
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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.
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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.
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Doctoral thesis (dissertation) of J. Wasmer's PhD project "Development of a surrogate machine learning model for the acceleration of first-principles calculations". Monograph.
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Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
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Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
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