The joint proposal by Transition State Technology Co., Ltd.; the National Institute of Advanced Industrial Science and Technology; Yamaguchi University; Osaka Prefecture University; and the University of Tokyo, “Establishing a New Foundation for Functional Chemical Manufacturing Processes through Digitally Driven Chemistry: Synthesis-Route Exploration and Validation through High-Speed Transition-State Analysis,” has been selected as one of the FY2020 NEDO Leading Research Program projects. The program supports research on new synthesis and manufacturing processes for useful functional molecules—including bioactive substances, materials for substance conversion, and energy-conversion materials—using computational and data science.

This project aims to commercialize in silico screening technologies that enable highly efficient production of functional chemicals, while establishing a foundation for a new industrial ecosystem for functional-chemical manufacturing that incorporates computational chemistry tools.

We will continue our research and development toward establishing these technologies.