Published October 29, 2024 | Version v2
Dataset Open

Data related to the publication "structure and transport properties of LiTFSI-based deep eutectic electrolytes from machine-learned interatomic potential simulations"

Authors/Creators

  • 1. Leibniz Institute of Surface Engineering

Description

Reference training and test datasets, trained ML potential models, and input scripts for the training (Allegro) and MD simulations (LAMMPS).

Files

Files (277.2 MB)

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md5:484ea1a1652b27f2840abee63d2ff0f3
277.2 MB Download

Additional details

Related works

Is supplement to
Journal article: 10.1063/5.0232631 (DOI)