[Exploring Unknown Materials] Year Started : 2021

Yuma Iwasaki

Scientists augmentation and materials discovery by hierarchical autonomous materials search

Research Director
Yuma Iwasaki

Senior Researcher
Materials Data and Integraed System (MaDIS)
National Institute for Materials Science (NIMS)

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 (CMSM)
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

Research Director
Junichiro Shiomi

Professor
Graduate School of Engineering
The University of Tokyo

Collaborator
Masahiro Goto Chief Researcher
International Center for Materials Nanoarchitectonics
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.

Jun Takeya

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

Research Director
Jun Takeya

Professor
Graduate School of Frontier Sciences
The University of Tokyo

Collaborator
Toshihiro Okamoto Associate Professor
Graduate School of Frontier Sciences
The University of Tokyo
Nobuhiko Kobayashi Professor
Faculty of Pure and Applied Sciences
University of Tsukuba
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

Research Director
Iwao Matsuda

Professor
The Institute for Solid State Physics
the University of Tokyo

Collaborator
Yasunobu Ando concurrent post
Research Center for Computational Design of Advanced Functional Materials
National Institute of Advanced Industrial Science and 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

Research Director
Shigehiro Yamaguchi

Professor
Institute of Transformative Bio-Molecules
Nagoya University

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

Research Director
Atsuo Yamada

Professor
Graduate School of Engineering
The University of Tokyo

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.

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