July 18, 2023 Dataset Open Access

Kumar, Sandeep; Tahmasbi, Hossein; Ramakrishna, Kushal; Lokamani, Mani; Nikolov, Svetoslav; Tranchida, Julien; Wood, Mitchell A.; Cangi, Attila

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    "description": "<p>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.</p>", 
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        "name": "Kumar, Sandeep", 
        "affiliation": "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), G\u00f6rlitz, Germany", 
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        "name": "Tahmasbi, Hossein", 
        "affiliation": "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), G\u00f6rlitz, Germany", 
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        "name": "Ramakrishna, Kushal", 
        "affiliation": "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), G\u00f6rlitz, Germany", 
        "orcid": "0000-0003-4211-2484"
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        "name": "Lokamani, Mani", 
        "affiliation": "Center for AdHelmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden, Germany", 
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        "name": "Nikolov, Svetoslav", 
        "affiliation": "Computational Multiscale Department, Sandia National Laboratories, 87185 Albuquerque, NM, United States"
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        "name": "Tranchida, Julien", 
        "affiliation": "CEA, DES, IRESNE, DEC, SESC, LM2C, F-13108 Saint-Paul-Lez-Durance, France"
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      {
        "name": "Wood, Mitchell A.", 
        "affiliation": "Computational Multiscale Department, Sandia National Laboratories, 87185 Albuquerque, NM, United States"
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        "affiliation": "Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), G\u00f6rlitz, Germany", 
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    "title": "Training scripts and input data sets: Transferable Interatomic Potential for Aluminum from Ambient Conditions to Warm Dense Matter", 
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