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



