New materials, so far, have generally been developed through repetition of numerous experiments based on researchers’ experience and knowledge.Recently, materials informatics (MI), which allows for the identification of guidelines for material design on computers, is attracting attention along with improvements in computer processing capacity and advances in information science and technology.Fujitsu Laboratories has been conducting research on this MI technology with the aim of creating new materials and devices and new drugs.MI is based in data, and the challenge is how to exhaustively gather and utilize good quality data.Fujitsu Laboratories is taking the approach of making the enormous amounts of accumulated material and device data into databases for analysis with AI technology.Meanwhile, we are also studying informatics-based design using data and AI by applying simulation technology, at which we excel, to generate the data on computers with a degree of accuracy equivalent to that of experiments.This paper presents the realization of an IT-based drug discovery that makes use of molecular simulations based on physics and chemistry, as well as the optimum design of magnetic devices that combines magnetic simulations and AI technology.It then presents informatics-based design technology aimed at new material development.It also describes the MI approach utilizing experiments, analyses, and simulations as an MI technique that includes the process as well as material search and presents future prospects.
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