Modeling based on multi-scale computational chemistry is a key methodology to make a breakthrough in the technology meeting a future demand. Our laboratory investigates a fundamental of multi-scale computational chemistry and its application to key technologies in industry, for example; design of secondary battery (polymer electrolyte fuel cell, lithium ion battery, and metal air battery), theoretical analysis of biomolecule, modeling and development of separation system using functional materials. We are also developing the methodology to combine experimental methods to computational chemistry; e.g. analysis of mass or spectroscopy spectrum for various materials. This method called as "experiment integrated computational chemistry", has a potential to make a computational chemistry more important in material design in industry.