Data associated to the manuscript "Computational Screening of the Physical Properties of Water-in-Salt Electrolytes"

Resumo

Contains input files and data used to generate the figures of the article: Computational Screening of the Physical Properties of Water-in-Salt Electrolytes Trinidad Mendez-Morales, Zhujie Li and Mathieu Salanne,<br> *ChemRxiv*, 13012646v2, 2020 [https://doi.org/10.26434/chemrxiv.13012646.v2](https://doi.org/10.26434/chemrxiv.13012646.v2) *WiS-inputs.zip* contains typical [LAMMPS](https://lammps.sandia.gov/) input files for all the systems. The folder *transport_coefficients* contains the computed viscosities, conductivities and diffusion coefficients for all the systems. The folder *radial_distribution_functions* contains all the partial radial distribution functions for all the systems. The nomenclature of the atoms of the anion is provided in the file *figureS1.pdf* and the atoms from the water molecules are labelled Ow and Hw.