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Supplemental data: Efficient machine learning interatomic potentials robust for liquid and multiple solid polymorphs of NaF and KF

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DataCite Commons2025-10-31 更新2026-02-09 收录
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https://figshare.com/articles/dataset/Supplemental_data_Efficient_machine_learning_interatomic_potentials_robust_for_liquid_and_multiple_solid_polymorphs_of_NaF_and_KF/29695496
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资源简介:
i) The files for the ACE-SCAN potentials of NaF and KFii) The associated training and test datasets of the two ACE-SCAN potentialsIf the ACE-SCAN potentials and/or the training datasets are useful for your research, please cite: Z. Fan, M.L. Whittaker &amp; M. Asta, Efficient machine learning interatomic potentials robust for liquid and multiple solid polymorphs of NaF and KF. <i>Phys. Rev. Materials</i> <b>9</b>, 103406 (2025). DOI: https://doi.org/10.1103/xbfm-clgd.Please contact Zhao (zfan2016@gmail.com) if there is any question on the ACE-SCAN potentials and/or the training datasets.
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figshare
创建时间:
2025-07-30
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