Issue date: 2024
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
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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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# | Filename | Filesize |
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1 | LiOHdpmd_datareadme.txt | 5.58 KB |
2 | LiOHdpmd_data1.zip | 139 MB |