Software Veröffentlichungen 2023

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Workflow, data processing, data analysis and predictive ML scripts used for DFT-integrated machine learning methodology in combination with the FLAPW code FLEUR
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Code collection for machine learning assisted materials screening in the search for novel half-metallic Heusler alloys
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Maple scripts for the calculation of Hubbard matrices and their subsequent downfolding by Loewdin's partitioning
[10.5281/ZENODO.8060563] BibTeX | EndNote: XML, Text | RIS

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spirit-code/spirit: New Desktop GUI, update to C++14
[10.5281/ZENODO.7746552] BibTeX | EndNote: XML, Text | RIS

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JuDFTteam/aiida-spirit: Version 0.2.1
JuDFTteam/aiida-spirit () [10.5281/ZENODO.8070769]   Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

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JuDFTteam/aiida-jutools
[10.5281/ZENODO.10429636]   Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

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FLEUR
[10.5281/ZENODO.7891361] BibTeX | EndNote: XML, Text | RIS

Letzte Änderung: 04.05.2023