Software Veröffentlichungen 2023
Workflow, data processing, data analysis and predictive ML scripts used for DFT-integrated machine learning methodology in combination with the FLAPW code FLEUR
(2023)
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Code collection for machine learning assisted materials screening in the search for novel half-metallic Heusler alloys
(2023)
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Maple scripts for the calculation of Hubbard matrices and their subsequent downfolding by Loewdin's partitioning
(2023) [10.5281/ZENODO.8060563]
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spirit-code/spirit: New Desktop GUI, update to C++14
(2023) [10.5281/ZENODO.7746552]
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JuDFTteam/aiida-spirit: Version 0.2.1
JuDFTteam/aiida-spirit (2023) [10.5281/ZENODO.8070769]
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JuDFTteam/aiida-jutools
(2023) [10.5281/ZENODO.10429636]
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FLEUR
(2023) [10.5281/ZENODO.7891361]
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