Materials Design Division

Materials Design by Computer Simulation Research Laboratory

Momoji KUBO

Prof.Momoji KUBO

  • Assoc. Prof. Yusuke OOTANI
  • Assist. Prof. Yuta ASANO

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 and multi-scale simulation technologies 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.

computational materials science, multi-physics simulation, multi-scale simulation
Materials Design for Aerospace Instruments by Electronic- and Atomic-Level Simulation

Multi-Physics and Multi-Scale Simulations for Materials Design of Aerospace Instruments

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

Multi-Physics and Multi-Scale Simulations for Materials Design of Solar Cells

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