Published July 16, 2025
| Version v1
Journal article
Open
TiAlNb alloy interatomic potentials: comparing passive and active machine learning techniques with MTP and DeePMD
Creators
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1.
Helmholtz-Zentrum Hereon
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2.
Hamburg University of Technology
Description
This dataset (Active learning dataset) contains the training and test data that we used for training the active learning interatomic potentials.
If you have any questions please contact us at anju.chandran@hereon.de.
For further details, please refer to our publication. Please cite this work in case you use the provided dataset.
Files
DeePMD.zip
Files
(451.4 MB)
| Name | Size | Download all |
|---|---|---|
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md5:25d98fb805eba172f24c21d454d611ec
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265.9 MB | Preview Download |
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md5:c18a96f821bacaeb8b011eebc2f9568c
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185.5 MB | Preview Download |
Additional details
Related works
- Is published in
- Publication: 10.3389/fmats.2025.1591955 (DOI)