This topic is the subject of ANR project CLINT.
The force field for molecular simulation of ionic liquids is available for download from the web pages of Agilio Padua.
Several tools are also available on that page:
- ilff: force-field parameter database for molecular dynamics simulation of ionic liquids.
- fftool: a tool to build force field files and initial configurations for molecular dynamics using LAMMPS or DL_POLY.
- compute fep: methods for free energy calculations with LAMMPS.
Research on DES.