Materials Design Division

Materials Design by Computer Simulation

Momoji KUBO

Prof.Momoji KUBO

  • Assist. Prof. Nobuki OZAWA
  • Assist. Prof. Yusuke OOTANI
  • Specially Appointed Assist. Prof. Narumasa MIYAZAKI

Solution of Energy and Environmental Problems and Realization of Safe and Secure Society by Computer Simulation

In order to solve the energy and environmental problems and to realize the safe and secure society, the development of the high-functional and high-performance materials is required in a wide variety of research fields such as aerospace instruments, electric vehicle, tribology, solar cell, fuel cell, micromachine, electronics, etc. Especially, the recent material technologies constitute of multi-physics phenomena including chemical reaction, friction, impact, stress, fluid, photon, electron, heat, electric and magnetic fields, etc. Therefore, this laboratory is pioneering the development of new multi-physics simulation technology based on first-principles molecular dynamics, tight-binding molecular dynamics, reactive molecular dynamics, coarse-grained molecular dynamics, etc. and then is realizing the theoretical materials design with high-accuracy and high-speed. Especially, we are utilizing our dedicated MASAMUNE-IMR supercomputing system and it realizes the super-large-scale and super-high-speed simulations.

computer simulation, multi-physics phenomena, materials design, low carbon society, safe and secure society
Materials Design for Aerospace Instruments by Electronic- and Atomic-Level Simulation

Materials Design for Aerospace Instruments by Electronic- and Atomic-Level Simulation

Materials Design for Solar Cell by Electronic- and Atomic-Level Simulation

Materials Design for Solar Cell by Electronic- and Atomic-Level Simulation

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