Integration of Simulation and Data Science in Materials Development

JSOL Corporation
Engineering Technology Business Unit
General Manager

Dr. Taku Ozawa

He received his Ph.D. in Engineering from Keio University and is currently responsible for the development and business management of J-OCTA, a multiscale materials design simulation software, at JSOL Corporation. He serves as a committee member of the Research Group on Computational Polymer Science of the Society of Polymer Science, Japan (SPSJ), and the Computer Chemistry Working Group of the Japan Association for Chemical Innovation (JACI).

The application of data science to materials development has been expanding year by year.
At the same time, physics-based simulations represented by the J-OCTA multiscale simulation platform are used not only for conventional mechanism analysis, but also to supplement missing data as inputs for data science workflows and to generate rich simulation datasets that are further analyzed using data science techniques. In other words, it is not sufficient to rely only on data science or only on simulation; they need to be utilized in a complementary and integrated manner.
In this presentation, under the keyword "Materials DX", we introduce software technologies that combine multi-scale simulation from the nano- to micrometer scale using J-OCTA with data science approaches such as Materials Informatics. We will illustrate how simulation and data science can be integrated for property prediction and process and materials design.