Training scripts and input data sets: Transferable Interatomic Potential for Aluminum from Ambient Conditions to Warm Dense Matter
Training scripts and input data sets: Transferable Interatomic Potential for Aluminum from Ambient Conditions to Warm Dense Matter
Kumar, S.; Tahmasbi, H.; Ramakrishna, K.; Lokamani, M.; Nikolov, S.; Tranchida, J.; Wood, M. A.; Cangi, A.
Here, we provide FitSNAP and DAKOTA input scripts and DFT-MD training data sets used for the generation of transferable SNAP ML-IAP for aluminum.
Keywords: Machine Learning Potential; Warm Dense Matter
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ROBIS: 36890 has used this (Id 37282) publication of HZDR-primary research data
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Publication date: 2023-07-18 Open access
DOI: 10.14278/rodare.2368
Versions: 10.14278/rodare.2369
License: other-open
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Permalink: https://www.hzdr.de/publications/Publ-37282
Publ.-Id: 37282
