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Data from "Dissolving salt is not equivalent to applying a pressure on water"

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NIAID Data Ecosystem2026-03-13 收录
下载链接:
https://figshare.com/articles/dataset/Data_from_Dissolving_salt_is_not_equivalent_to_applying_a_pressure_on_water_/17193023
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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.
创建时间:
2022-01-19
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