Collaboration Research Centers and Facilities

Center for Computational Materials Science

Momoji KUBO

Head/Prof.Momoji KUBO

  • Prof.Yu KUMAGAI
  • Prof.Yusuke NOMURA
  • Specially Appointed Assoc. Prof. Yayoi TERADA

Support for Materials Design by Superlarge-Scale Simulation and Development of Application Software for Supercomputer

The first main task is administration and support of supercomputing system “MASAMUNE-II”; ①Administration, operation, and maintenance of our supercomputing system, ②General supports for users of our supercomputing system, and ③Holding lecture courses for application software in our supercomputing system.

The second main task is research and development for computational materials science; ④Development and application of superlarge-scale application software for the supercomputer, ⑤Development of multi-physics computational science methodology and its application to materials design, ⑥Research on basic theory for multiscale materials science and its application to materials design, and ⑦Research on materials informatics technology and its application to materials development.

The third main task is collaboration with and support for other institutes and projects; ⑧Collaboration with HPCI (High Performance Computing Infrastructure), ⑨Supply of our computational resources to supercomputing consortium for computational materials science (collaboration with supercomputer centers in Institute for Solid State Physics and Institute for Molecular Science), ⑩Collaboration with and support for the Program for Promoting Research on the Supercomputer Fugaku, ⑪Management of the Professional development Consortium for Computational Materials Scientists, and ⑫ Management of Computational Materials Science Forum (collaboration with Supercomputer Centers at the Institute for Solid State Physics and Institute for Molecular Science, and Osaka University R3 Institute for Newly-Emerging Science Design).

supercomputer, computational materials science, superlarge-scale simulation, multi-physics and multi-scale simulation
10 Billion Atoms Molecular Dynamics Simulator Development for Revealing Chemical Reaction Dynamics

10 Billion Atoms Molecular Dynamics Simulator Development for Revealing Chemical Reaction Dynamics

200 Million Atoms Catalytic Reaction Dynamics Simulation for Solid Oxide Fuel Cell

200 Million Atoms Catalytic Reaction Dynamics Simulation for Solid Oxide Fuel Cell

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