Circumventing data imbalance in magnetic ground state data for magnetic moment predictions











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Modeling magnetic materials with DFT is hard. In this work we develop a machine learning approach to predicting magnetic properties of materials based on their structure. Our two stage model first predicts if a material is magnetic, and then if it is, what the magnetic moments on each atom are. We show this can lead to faster and lower energy DFT solutions. • The paper is Open Access here: https://doi.org/10.1088/2632-2153/ad23fb

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