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Machine-Learning Accelerated Computational Spectroscopy Reveals Vibrational Signature of the Oxidation Level of Graphene in Contact with Water

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Figshare2025-10-29 更新2026-04-08 收录
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The training dataset of DPMP model and the input files that used to train the DPMP model, run the DPMD simulation and evaluate the DPMP model.

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2025-10-29
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