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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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Publ.-Id: 37282