Simplified models, deeper insights: Coarse-grained models unlock new potential for ionic liquid simulations
Ionic liquids (ILs) are a class of molten salts with a collection of exciting properties, which have been employed for wide-ranging applications across chemistry, biology, and materials science. However, their inherently high viscosity hampers the ability of molecular dynamics (MD) simulations to explore their structure-property relationships on large spatiotemporal scales. Coarse-grained (CG) models address this challenge by retaining essential structural features while eliminating some atomic details, significantly reducing ...