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).
Collaboration Research Centers and Facilities
Center for Computational Materials Science

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
supercomputer, computational materials science, superlarge-scale simulation, multi-physics and multi-scale simulation

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