Collaboration Research Centers and Facilities

Center for Computational Materials Science

Momoji KUBO

Head/Prof.Momoji KUBO

  • Assoc. Prof.Michi-To SUZUKI
  • Assoc. Prof.Yayoi TERADA

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

First main task of our center is supercomputing system administration and support; ①Administration, operation, and maintenance of our supercomputing system, ② General 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. Second main task of our center is research and development for computational materials science; ⑤ Development and application of superlarge-scale application software for 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. 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 computational resources to supercomputing consortium for computational materials science (collaboration with supercomputer centers in Institute for Solid State Physics and Institute for Molecular Science), and ⑪ Collaboration with and support for Post-K priority issues and exploratory challenges projects, and ⑫Collaboration with and support for PCoMS (Professional development Consortium for Computational Materials Scientists).

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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