Industry meets theory: computational R & D for innovative products.

We introduce our activities for applications of first-principles theoretical calculations to various research and development processes for innovative electronic products. We present our recent selected results for four kinds of materials, which are the rare-earth element doped ceramic dielectric material BaTiO3, BaTiO3 ceramic nanoclusters and alkali-metal Li storage materials, i.e., graphite and sulfide LixFeS2.