Collaboration Research Centers and Facilities

Center for Computational Materials Science

Momoji KUBO

Head/Prof.Momoji KUBO

  • Prof.Yu KUMAGAI
  • 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; 1. Administration, operation, and maintenance of our supercomputing system, 2. General supports for users of our supercomputing system, 3. Supports for parallel computation techniques in our supercomputing system, and 4. Holding lecture courses for application software in our supercomputing system.

The second main task of our center is research and development for computational materials science; 5. Development and application of superlarge-scale application software for the supercomputer, 6. Development of multi-physics computational science methodology and its application to materials design, 7. Research on basic theory for multi-scale materials science and its application to materials design, and 8. Research 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; 9. Collaboration with HPCI (High Performance Computing Infrastructure), 10. Supply of computational resources to supercomputing consortium for computational materials science (collaboration with supercomputer centers in Institute for Solid State Physics and Institute for Molecular Science), 11. Collaboration with and support for the Program for Promoting Research on the Supercomputer Fugaku, 12. Collaboration and support with the Professsional development Consortium for Computational Materials Scientists, and 13. Operation 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
Analysis of band topology in topological magnets

Analysis of band topology in topological magnets

Comparison plot of magnetic moments between firstprinciples calculations and experimental observations whose values are taken from a magnetic structure database

Comparison plot of magnetic moments between firstprinciples calculations and experimental observations whose values are taken from a magnetic structure database

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