%0 Generic
%A Seyed Salehi, Hirad
%D 2022
%T Simulation files of PhD dissertation 'Molecular Simulation of Deep Eutectic Solvents'
%U https://data.4tu.nl/articles/dataset/Simulation_files_of_PhD_dissertation_Molecular_Simulation_of_Deep_Eutectic_Solvents_/18996992/1
%R 10.4121/18996992.v1
%K deep eutectic solvents (DESs)
%K Monte Carlo simulations
%K Deep eutectic solvent
%K molecular dynamics
%K LAMMPS
%K Thermodynamics
%K Brick-CFCMC
%K Phase equilibrium
%K Transport properties
%K Simulation files
%X 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.
%I 4TU.ResearchData