Data from "Chemical reactions in molten lithium carbonates and hydroxides with deep potential molecular dynamics"
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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.
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Princeton University创建时间：
2025-03-27
