An equivariant graph neural network predicts Born effective charge tensors with ~0.004 e error and combines them with energy/force/stress prediction in a single multitask model.
Zenodo (2026)
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SevenNet-Polar for MultiTask Prediction of Energy, Forces, Stress, and Born Effective Charges: Development and Application to ZrO$_2$, Li$_3$PO$_4$, and Perovskites
An equivariant graph neural network predicts Born effective charge tensors with ~0.004 e error and combines them with energy/force/stress prediction in a single multitask model.