Development of United-Atom Force Fields for Monomeric and Oligomeric Ionic Liquids through Regression-Guided Optimization of Electronic Continuum Correction Parameters
Ionic liquids are salts that exist in the liquid state at room temperature and exhibit high viscosity because of their strong electrostatic interactions. It was difficult to reproduce their viscosity by molecular dynamics simulations with conventional nonpolarizable force fields; however, recent development of force fi...