Deep potential model and dataset for describing hydronium and hydroxide ions in water.
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资源简介：
This dataset contains systems with 0-2 pairs of hydronium and hydroxide ions in water, labeled by the SCAN functional.This model accurately describes hydronium and hydroxide diffusion in water with high precision using the SCAN functional. The compressed model is more efficient for conducting molecular dynamics. For more details, see the paper and supporting information.
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Zenodo创建时间：
2024-12-08
