five

Data From: "Computational Investigation of Water Glasses using Machine Learning Potentials"

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DataCite Commons2025-07-24 更新2026-04-25 收录
下载链接:
https://datacommons.princeton.edu/discovery/doi/10.34770/a0v3-ye51
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资源简介:
This dataset contains all data relevant to a forthcoming publication in which we used molecular simulation methods to study the the glassy behavior of water using two machine learning Deep Potentials based of the DFT SCAN functional and the MBpol water model. The dataset contains simulation input and output files (including trajectories), processed data files, and notebooks used to create all plots in the manuscript. The data for each plot is self contained and can be reproduced directly from the notebook without downloading all data.
提供机构:
Princeton University
创建时间:
2025-07-01
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