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most citedAn Adaptive Fast Algorithm for Periodic Coulomb Lattice Sums in Arbitrary Unit Cells

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physics.chem-ph2026

Prolate spheroidal wave functions enable fast and exponent-aware long-range machine learning interatomic potentials

Jiuyang Liang, Libin Lu, Yajie Ji +1

Long-range interactions such as electrostatics and dispersion remain a central bottleneck for machine learning interatomic potentials (MLIPs), especially in ionic, polar and interf…