cff-version: 1.2.0
abstract: "The files here correspond to simulations performed for the PhD dissertation 'Molecular Simulation of Deep Eutectic Solvents'. For each chapter of the dissertation, the simulation input and output files of a single system are provided. Within each simulation folder, a README.txt file exists, in which the details of the simulation and the files are explained."
authors:
  - family-names: Seyed Salehi
    given-names: Hirad
    orcid: "https://orcid.org/0000-0001-6745-163X"
title: "Simulation files of PhD dissertation 'Molecular Simulation of Deep Eutectic Solvents'"
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/18996992.v1
license: CC0
date-released: 2022-01-26