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Material Design for Solution of Energy and Environmental Problems by Multi-Physics and Multi-Scale Simulation

update:2022-05-31
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Features

In order to solve the energy and environmental problems, the development of the high-functional and high-performance materials is required in a wide variety of research fields such as fuel cell, Li-ion battery, tribology etc. Especially, the recent material technologies constitute of multi-physics and multi-scale phenomena including chemical reaction, friction, impact, stress, fluid, photon, electron, heat, electric and magnetic fields etc. on nano- and macro-scales. Therefore, Kubo laboratory is pioneering the development of multi-physics and multi-scale simulator on the basis of quantum chemistry and is utilizing supercomputers "Fugaku" and "MASAMUNE-IMR" for realizing the theoretical material design with high-accuracy.

Targeted Application(s)/Industry

We utilize our developed multi-physics and multi-scale simulation technology on the basis of quantum chemistry for acceelerating the material development in a wide variety of private companies of automotive, machinery, power, electronics, material, metal, chemistry etc. and then contribute to solving the energy and environmental problems.

Researchers

Institute for Materials Research

KUBO Momoji , Professor
Doctor of Engineering

Keywords

Related Information

Y. Wang, N. Yamada, J. Xu, J. Zhang, Q. Chen, Y. Ootani, Y. Higuchi, N. Ozawa, M.-I. De Barros Bouchet, J. M. Martin, S. Mori, K. Adachi, and M. Kubo, Triboemission of Hydrocarbon Molecules from Diamond-like Carbon Friction Interface Induces Atomic-Scale Wear, Sci. Adv., 5 (2019) eaax9301.
Y. Wang, J. Xu, Y. Ootani, N. Ozawa, K. Adachi, and M. Kubo, Non-Empirical Law for Nanoscale Atom-by-Atom Wear, Adv. Sci. 8 (2021) 2002827.
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