Data from "Molecular Simulation of Lithium Carbonate Reactive Vapor-Liquid Equilibria using a Deep Potential Model"

Kussainova, Dina ; Panagiotopoulos, Athanassios
Issue date: 2023
Rights:
Creative Commons Attribution 4.0 International (CC BY)
Cite as:
Kussainova, Dina & Panagiotopoulos, Athanassios. (2023). Data from "Molecular Simulation of Lithium Carbonate Reactive Vapor-Liquid Equilibria using a Deep Potential Model" [Data set]. Princeton University. https://doi.org/10.34770/c6dc-3d45
@electronic{kussainova_dina_2023,
  author      = {Kussainova, Dina and
                Panagiotopoulos, Athanassios},
  title       = {{Data from "Molecular Simulation of Lithi
                um Carbonate Reactive Vapor-Liquid Equil
                ibria using a Deep Potential Model"}},
  publisher   = {{Princeton University}},
  year        = 2023,
  url         = {https://doi.org/10.34770/c6dc-3d45}
}
Description:

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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# Filename Filesize
1 README.txt 4.66 KB
2 Li2CO3DPMD.zip 12.1 MB