In the nanometer-scale world, the boundary between life and matter becomes ambiguous, and extracting "information" frequently observed in molecular behavior has become a common and crucial challenge in both of biological and material science. In our laboratory, we conduct research and development using informatics, including machine learning and simulations, to understand "information" and universal principles at the molecular level. Using high-performance computing systems such as supercomputers and GPUs, we advance data-driven research that combines knowledge and techniques from material and biological science.