Predicting CO${}_2$ Absorption in Ionic Liquids with Molecular Descriptors and Explainable Graph Neural Networks

Yue Jian, Yuyang Wang, Amir Barati Farimani

Ionic Liquids (ILs) provide a promising solution for CO${}_2$ capture and storage to mitigate global warming. However, identifying and designing the high-capacity IL from the giant c…