Metadynamics enhanced training Dataset and DFT-SCAN accurate GAP Model for amorphous and liquid HfO2
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Metadynamics enchanced training dataset and DFT-SCAN accurate Gaussian Approximation Potential model for liquid and amorphous HfO2 reported in Sivaraman, G., Csanyi, G., Vazquez-Mayagoitia, A., Foster, I. T., Wilke, S. K., Weber, R., & Benmore, C. J. (2022). A Combined Machine Learning and High-Energy X-ray Diffraction Approach to Understanding Liquid and Amorphous Metal Oxides. <em>Journal of the Physical Society of Japan</em>, <em>91</em>(9), 091009.
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figshare
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2023-03-01
