/tools/Ionic-Liquid
Ionic-Liquid
utkarsk/Ionic-Liquid
6 stars6 forksAdded February 8, 2026
summary
This repository contains force field parameters and input files for conducting molecular dynamics simulations using GROMACS and Monte Carlo simulations using CASSANDRA. It is aimed at facilitating research in ionic liquids and includes relevant files for studying phase equilibria and thermodynamic properties.
description
(1) Force field parameters for Zhiping Liu and CL&P FF, for several cations and anion (2) Relevant input files to run Molecular Dynamics (MD) simulations using GROMACS (3) Relevant input files to run Monte Carlo (MC) simulations using CASSANDRA for phase equilibria calculations.
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