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 of our center is supercomputing system administration and support; ①Administration, operation, and maintenance of our supercomputing system, ②General supports for users of our supercomputing system, ③Supports for parallel computation techniques in our supercomputing system, and ④Holding lecture courses for application software in our supercomputing system.

The second main task of our center is research and development for computational materials science; ⑤Development and application of superlarge-scale application software for the supercomputer, ⑥Development of multi-physics computational science methodology and its application to materials design, ⑦Research on basic theory for multi-scale materials science and its application to materials design, and ⑧Research on materials informatics technology and its application to materials development.

The third main task of our center is collaboration with and support for other institutes and projects; ⑨Collaboration with HPCI (High Performance Computing Infrastructure), ⑩Supply 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), ⑪Collaboration with and support for the Program for Promoting Research on the Supercomputer Fugaku, ⑫Management of the Professional development Consortium for Computational Materials Scientists, and ⑬Management 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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