Data from "Simulation of Lithium Hydroxide Decomposition using Deep Potential Molecular Dynamics"
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下载链接：
https://datacommons.princeton.edu/discovery/doi/10.34770/tesn-w791
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资源简介：
Data and input files related to the paper "Simulation of Lithium
Hydroxide Decomposition using Deep Potential Molecular Dynamics".
This includes the final DP model used in all simulations, training data,
example input files to run AIMD (with CP2K) and DPMD (with LAMMPS)
simulations, and a spreadsheet summarizing the data obtained from the
simulations and calculated results.
提供机构：
Princeton University
创建时间：
2024-07-06
