most citedRelativistic orbital-free kinetic energy density functional for one-particle nuclear systems

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cond-mat.mtrl-sci2025

Energy Underprediction from Symmetry in Machine-Learning Interatomic Potentials

Wei Nong, Ruiming Zhu, Zekun Ren +7

Machine learning interatomic potentials (MLIAPs) have emerged as powerful tools for accelerating materials simulations with near-density functional theory (DFT) accuracy. However,…