Data from "Dissolving salt is not equivalent to applying a pressure on water"
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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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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.
创建时间:
2022-01-19



