Data from "Molecular Simulation of Lithium Carbonate Reactive Vapor-Liquid Equilibria using a Deep Potential Model"
收藏DataCite Commons2023-12-11 更新2024-07-13 收录
下载链接：
https://datacommons.princeton.edu/discovery/doi/10.34770/c6dc-3d45
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资源简介：
Data and input files related to the paper "Molecular Simulation of
Lithium Carbonate Reactive Vapor-Liquid Equilibria using a Deep Potential
Model". This includes example LAMMPS and CP2K files for NPT and NVT
simulations, as well as the generated DP model used to perform all DPMD
simulations.
提供机构：
Princeton University
创建时间：
2023-12-06
