Yukari Katsura

Development of innovative functional materials based on large-scale search for new crystals

Grant No.：JPMJCR19J1

Research Director

Yukari Katsura

Collaborator

Masakazu Akiyama	Associate Professor Faculty of Science, Academic Assembly University of Toyama
Tohru Sugahara	Professor Faculty of Materials Science and Engineering Kyoto Institute of Technology
Masaya Fujioka	Senior Researcher Innovative Functional Materials Research Institute Advanced Industrial Science and Technology
Haruhiko Morito	Associate Professor Institute for Materials Research Tohoku University

Outline

We change the experimental searches for new inorganic materials more efficient and innovative, with the data science. From mathematics and machine learning, we develop an original simulator like a 3D puzzle, which assists us to design periodic crystal structures. Large-scale experimental searches for new compounds are carried out by Na-flux method and proton-driven ion implantation. Out of the newly-investigated compounds, we select the candidate functional materials such as thermoelectric materials, by first-principles calculations and machine learning of literature data. We will then design the best electrodes for the material, to fabricate an application device made of the new material.

Takashi Takeda

Development of phosphors based on experiment and data science

Grant No.：JPMJCR19J2

Research Director

Takashi Takeda

Collaborator

Hidekazu Ikeno	Associate Professor Graduate School of Engineering Osaka Metropolitan University
Satoru Matsuishi	Principal Researcher Research Center for Materials Nanoarchitectonics National Institute for Materials Science

Outline

We built a cyclic system of experimental, calculation and data science, and develop high performance phosphors by synthesizing and characterizing all candidates proposed form data science. By a combination of experimental design proposed from data science, high-throughput experiments that can realize many trials more than 1000 samples in one year and multiplet calculations, and we explore unknown area beyond human idea.

Masanobu Naito

Data-centric Molecular Design for Development of Supercomposite Materials

Grant No.：JPMJCR19J3

Research Director

Masanobu Naito

Collaborator

Chiaki Sato	Professor Institute of Innovative Research Tokyo Institute of Technology
Keitaro Sodeyama	Group Leader Center for Basic Research on Materials National Institute for Materials Science

Outline

We will establish data-centric molecular design for development of supercomposite materials with extraordinary properties that cannot be achieved by combination of existing materials. In this project, artificial intelligence (AI) plays key role on prediction of chemical reactions and polymer properties. Various physical / chemical data of the AI-predicted materials are fastly and efficiently collected at an automated smart laboratory. Synergetic collaboration of AI and smart lab enables us to accelarete the development period of the supercomposite materials.

Yukio Nozaki

Development of functionally graded materials and application to spin devices by combining nano-structure control and computational science

Grant No.：JPMJCR19J4

Research Director

Yukio Nozaki

Collaborator

Hiroaki Sukegawa	Group Leader Research Center for Magnetic and Spintronic Materials National Institute for Materials Science
Seiji Yunoki	Chief Scientist Advanced Science Institute RIKEN
Shinichi Watanabe	Professor Faculty of Science and Technology Keio University

Outline

The conventional spin current generation relies on the spin-dependent scattering effect inherent in rare materials. Consequently, the degree of freedom in material design for spin devices has been seriously restricted. In this project, we develop a novel technology to generate spin current in functionally graded materials consisting of two or more conventional materials with controlled interfaces where electrical conductivity is highly modulated in nanometer scale. We improve the flexibility in material design of spin devices by providing a novel control axis called non-uniform spin-dependent scattering. We will demonstrate the practical operation of spin devices utilizing the functionally graded materials developed in this project.