Data from "Dissolving salt is not equivalent to applying a pressure on water"
收藏Figshare2022-01-19 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Data_from_Dissolving_salt_is_not_equivalent_to_applying_a_pressure_on_water_/17193023/1
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资源简介：
This dataset contains data relates to the publication "Dissolving salt is not equivalent to applying a pressure on water", by Zhang et al., 2021. In this work, we use deep potential molecular dynamics simulation to study the structure of water in salt solutions. The deep neural network potential is trained on high-level DFT calculations based on the strongly constrained and appropriately normed functional. This dataset contains the deep potential models and the DFT training data reported in the publication.<br>
提供机构：
Panagiotopoulos, Athanassios Z.; Zhang, Chunyi; Yue, Shuwen; Klein, Michael; Wu, Xifan
创建时间：
2022-01-19
