Economic and environmental factors drive research into energy efficient processes and CO2 capture materials. Currently, amine-based (e.g., monoethanolamine) technologies dominate CO2 capture, but they are energy intensive and environmentally unfriendly due to volatile solvent emissions. Ionic liquids have been proposed as a viable alternative to conventional volatile solvents. This remarkable interest has resulted in a rapid growth of literature. The goal of this paper is to provide a general idea of the successes and challenges in finding an ionic liquid for CO2 capture from flue gas streams. This article covers the computational data of CO2 solubility in various ionic liquids. There is a focus on anions, cations, and functional groups in ionic liquid CO2 solubility. Solvent designers can use these trends to sort through the vast number of theoretically possible ILs and their CO2 absorption capacity by using suitable Ionic liquids.