Development and application of theoretical techniques towards large-scale calculations and bulk simulations of ionic liquids

In this thesis, a variety of techniques are developed and applied onto ionic liquids. Ionic liquids themselves are highly versatile compounds, wholly consisting of ions (like table salt) but are solid at low temperatures (unlike table salt). Ionic liquids are important liquids for batteries and energy storage. This thesis builds upon existing research to refine computational methods to predict properties of various ionic liquids.