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posted on 2025-10-24, 12:06 authored by Ruihong He, Jing-Shuang Dang
S1. Dataset; S2. Descriptor; S3. Energy profiles in DPMD

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    DOI - Is supplement to <strong>Machine Learning Potential-Accelerated Multiscale Dynamical Simulations of Nanodiamond Structural Reconstruction </strong>

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    Journal of Chemical Physics

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    DFT calculationsNanodiamondsMachine Learning Potential

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