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Long-Range Machine Learning Interatomic Potentials for Defect Energetics in SrTiO$_3$

Wong, Yee Chit et al.
arXiv (All) · Papers
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materials-science
Machine learning interatomic potentials (MLIPs) have advanced rapidly in recent years, yet the majority of models remain semilocal in nature and neglect long-range electrostatic interactions. A growing number of long-range models have emerged to address this limitation, but systematic benchmarks com
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