Universal machine-learned interatomic potentials, especially eSEN-30M-OAM, accurately reproduce DFT-level geometries and energies for zeolites, while classical universal force fields largely fail.
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Benchmarking Universal Interatomic Potentials on Zeolite Structures
Universal machine-learned interatomic potentials, especially eSEN-30M-OAM, accurately reproduce DFT-level geometries and energies for zeolites, while classical universal force fields largely fail.