Data from "Molecular Simulation of Lithium Carbonate Reactive Vapor-Liquid Equilibria using a Deep Potential Model"
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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.
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Princeton University创建时间：
2023-12-06
