Published November 24, 2024
| Version v1
Dataset
Open
Data associated to the article "DFT-based Polarizable Ion Models for Molten Rare-earth Chlorides: from Lanthanum to Europium"
- 1. Sorbonne Université
Description
Contains input file used to generate the results of the article:
DFT-based Polarizable Ion Models for Molten Rare-earth Chlorides: from Lanthanum to Europium
Kateryna Goloviznina, Maria-Chiara Notarangelo, Julien Tranchida, Emeric Bourasseau, Mathieu Salanne
The files data.inpt and runtime.inpt are used to simulate the system using the software MetalWalls (available at https://gitlab.com/ampere2/metalwalls)
Files
Files
(6.5 MB)
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md5:3f0ecc16a31e414f7e658c72fa9497d7
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6.5 MB | Download |