Our research group will address challenges in the theoretical and computational modeling of ion-containing nanomaterials that are closely related to recent energy issues. These materials have drawn substantial attention in international society, being utilized in diverse ways in the energy arena. In particular, developing more efficient, mechanically robust, inexpensive, and cleaner energy storage systems is an urgent issue. Examples of such energy storage technologies include fuel cells, lithium-polymer rechargeable batteries, electroactive actuators, and supercapacitors. Thus, solid knowledge regarding these systems will provide strong supports in designing ideal energy storage systems.