Yee-Chit Wong

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

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 comparing their perform...