Data from "Chemical reactions in molten lithium carbonates and hydroxides with deep potential molecular dynamics"
收藏DataCite Commons2025-04-01 更新2025-04-09 收录
下载链接：
https://datacommons.princeton.edu/discovery/doi/10.34770/6na4-1f89
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资源简介：
Data and input files related to the paper "Chemical reactions in
molten lithium carbonates and hydroxides with deep potential molecular
dynamics". The repository includes 4 realizations of the final DP
model used to perform all simulations, the data sets used to train this
model, and example input files to perform $NPT$ and VLE simulations with
LAMMPS and DeePMD.
提供机构：
Princeton University
创建时间：
2025-03-27
