Extracting Atomic Environments for Training Machine-learned Interatomic Potentials

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Stimac, Jared [Lawrence Livermore National Laboratory], Zhou, Fei [Lawrence Livermore National Laboratory], Bushick, Kyle [Lawrence Livermore National Laboratory], Hamel, Sebastien [Lawrence Livermore National Laboratory], Samanta, Amit [Lawrence Livermore National Laboratory], Goldman, Nir [Lawrence Livermore National Laboratory], Lordi, Vincenzo [Lawrence Livermore National Laboratory], Lei, Bo [Lawrence Livermore National Laboratory]. 2026-07-28. Extracting Atomic Environments for Training Machine-learned Interatomic Potentials. https://doi.org/10.2172/3389363

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