Data from "Simulation of Lithium Hydroxide Decomposition using Deep Potential Molecular Dynamics"

Kussainova, Dina ; Panagiotopoulos, Athanassios
Issue date: 2024
Rights:
 Creative Commons Attribution 4.0 International (CC BY)
Cite as:
Kussainova, Dina & Panagiotopoulos, Athanassios. (2024). Data from "Simulation of Lithium Hydroxide Decomposition using Deep Potential Molecular Dynamics" [Data set]. Princeton University. https://doi.org/10.34770/tesn-w791
@electronic{kussainova_dina_2024,
  author      = {Kussainova, Dina and
                Panagiotopoulos, Athanassios},
  title       = {{Data from "Simulation of Lithium Hydroxi
                de Decomposition using Deep Potential Mo
                lecular Dynamics"}},
  publisher   = {{Princeton University}},
  year        = 2024,
  url         = {https://doi.org/10.34770/tesn-w791}
}
Description:

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.

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More about this record
Authors Kussainova, Dina (Princeton University)
Panagiotopoulos, Athanassios (Princeton University)
Domains Engineering
Communities Chemical and Biological Engineering
Issue date 2024
Date Created 2024-07-06
Date Modified 2024-07-22
URI https://doi.org/10.34770/tesn-w791
Publisher Princeton University
Type Dataset
Funders Office of Basic Energy Sciences, U.S. Department of Energy, DE-SC0002128
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