Development and promotion of large storage batteries are indispensable for the realization of electric vehicles and smart grid networks, which are currently attracting attention as decisive factors in solving our environmental and energy problems. To deal with these problems, we intend to develop all-solid-state batteries to improve large-battery safety and reliability, and we also intend to substitute polyvalent cation batteries for lithium batteries to increase energy densification (Fig. 1). With the aim of producing these novel storage batteries, we use materials simulation and information integration technologies—targets of the MI²I innovation hub—to rapidly and efficiently discover the optimal materials for storage batteries (Fig. 2). In addition, we are collaborating with industry and with national projects to help accelerate the development of storage batteries in Japan.