Yuma Iwasaki

Scientists augmentation and materials discovery by hierarchical autonomous materials search

Grant No.：JPMJCR21O1

Research Director

Yuma Iwasaki

Collaborator

Yasuhiko Igarashi	Associate Professor Faculty of Engineering, Information and Systems University of Tsukuba
Masato Kotsugi	Professor Faculty of Advanced Engineering Tokyo University of Science
Yuya Sakuraba	Group Leader Research Center for Magnetic and Spintronic Materials National Institute for Materials Science

Outline

In conventional data-driven materials development, it is difficult to achieve both “new material discovery” and “deepening of scientific knowledge”. In this project, we are developing a hierarchical autonomous search system that integrates combinatorial experiments, materials simulations, data science, and robotics to enable the discovery of new materials while expanding the capabilities of materials scientists.

Junichiro Shiomi

Innovation of Disordered Thermo-Functional Materials by Giant Continuous Space Search

Grant No.：JPMJCR21O2

Research Director

Junichiro Shiomi

Collaborator

Masahiro Goto	Chief Researcher Research Center for Materials Nanoarchitectonics (MANA) National Institute for Materials Science
Koji Tsuda	Professor Graduate School of Frontier Sciences The University of Tokyo

Outline

We develop a Quantum & Robotics in the Loop method for the global optimal exploration of a huge material space by linking quantum computation, collaborative robotics, and automated combinatorial synthesis/characterization with solid-state and wet processes. We will apply the method to the development of thermally functional materials, and innovate insulating and thermal barrier coatings and scalable wavelength-selective thermal radiation films composed of dense inorganic materials by exploring a huge space including metastable/disordered systems and process parameters.

Junichi Takeya

Two-dimensional crystals of electron confined molecules and versatile quantum devices

Grant No.：JPMJCR21O3

Research Director

Junichi Takeya

Collaborator

Toshihiro Okamoto	Professor School of Materials and Chemical Technology Institute of Science Tokyo
Nobuhiko Kobayashi	Professor Faculty of Pure and Applied Sciences University of Tsukuba
Yu Yamashita	Senior Researcher Research Center for Materials Nanoarchitectonics (MANA) National Institute for Materials Science

Outline

We create novel quantum electronics by two-dimensionally crystallizing of “quantum well molecules” in which carriers are confined in the central part of the molecule. Utilizing the crystal structure prediction algorithm and the method of first-principles electronic state calculation, we investigate various quantum well structures and apply room temperature resonance tunnel diodes, superconducting quantum bits, and high-speed integrated circuits. In this research, we establish an organic electronics platform by exploring applications such as wireless power supply, high-speed communication, and quantum devices.

Iwao Matsuda

Exploring the synthesis and the functionalities of 2D boron materials

Grant No.：JPMJCR21O4

Research Director

Iwao Matsuda

Collaborator

Yasunobu Ando	Associate Professor Institute of Innovative Research Tokyo Institute of Technology
Masato Kotsugi	Professor Faculty of Advanced Engineering Tokyo University of Science
Takahiro Kondo	Professor Faculty of Pure and Applied Sciences University of Tsukuba
Hirokazu Fukidome	Associate Professor Research Institute of Electrical Communication Tohoku University

Outline

We have pioneered synthesis of the atomic layer materials of boron and discovered their excellent physical properties that are potentially useful as the functional materials in the future. In the present research, we explore the optimized synthesis procedures of this novel group of the 2D material by integrating the operando experimental techniques and the process informatics. The multidimensional material data, accumulated during the research, are efficiently treated through machine learning to develop the composite materials that has the maximized functionalities for devices.

Shigehiro Yamaguchi

Development of heteroatom-containing p-electron systems based on controlling over excited-state dynamics

Grant No.：JPMJCR21O5

Research Director

Shigehiro Yamaguchi

Collaborator

Kazuhiro Fujimoto	Designated Associate Professor Institute of Transformative Bio-Molecules Nagoya University
Takuma Yasuda	Professor Institute for Advanced Study Kyushu University

Outline

Aiming to produce unconventional photo-functional molecular materials, we will develop heteroatom-containing polycyclic p-electron systems. Our approaches to this end are based on precise understanding and estimation of the excited-state dynamics and modification of those parameters by incorporating various main-group elements. We will pursue the utilities of the thus produced p-conjugated scaffolds not only in organic optoelectronics but also in fluorescent bioimaging.

Atsuo Yamada

Development of energy-storage functional materials based on unexplored water chemistry

Grant No.：JPMJCR21O6

Research Director

Atsuo Yamada

Collaborator

Masashi Okubo	Professor School of Advanced Science and Engineering Waseda University
Shinichi Komaba	Professor Faculty of Science Division I Tokyo University of Science
Masanobu Nakayama	Professor Graduate School of Engineering Nagoya Institute of Technology
Naoaki Yabuuchi	Professor Faculty of Engineering Yokohama National University

Outline

Diversifing the alkaline hydrate melt electrolyte (HME) and exploartion of host-guest electrode materials, which are exclusively stabilized and functionalized in HME-based solution, are committed. With combined experimental, compiutational, and data science approach, we try to identify not only emerging functional materials but also new charge storage mechanisms that will realize water-based energy-storage system with higher energy density and higher power, largely outperforming the technical limit by the conventional design strategies.