Center for Computational Materials Science
Institute for Materials Research,
Tohoku University

Guidance of CCMS


Head, Momoji KUBO
Head, Momoji KUBO

Computational science is increasingly expected to have important and significant roles for solving energy and environmental problems and for constructing safe and secure society towards the bright future of humanity. MEXT (The Japanese Ministry of Education, Culture, Sports, Science and Technology) is now organizing Flagship 2020 project from 2014 for the development of exa-scale supercomputer "Post-K". The above project aims not only to construct supercomputer "Post-K" but also to develop application software under the co-design concept. Under such circumstances, our supercomputer in this center is strongly expected to contribute to the advancement of materials science and computational materials science fields because our supercomputer is in the second hierarchy and is directly liked to "K" or "Post-K" in the first hierarchy among the hierarchy of the computational facilities in Japan. In order to fulfil the above mission of this center, this center offers our supercomputer resources to the community of the materials science as joint usage center. In addition, this center not only performs the development of application software for supercomputer and its application to materials science but also offers our supercomputer resources to the supercomputer shared use project among IMR (Institute for Materials Research, Tohoku University), ISSP (Institute for Solid State Physics, The University of Tokyo), and IMS (Institute for Molecular Science), "Post-K" project and PCOMS (Professional development Consortium for Computational Materials Scientists) project, and holds software lecture courses etc. Furthermore, this center constructed the use system for the private companies and started its offering from 2017 FY. In 2018 FY this center plans to replace our supercomputer system and then it is expected to realize the significant increase in the computing speed compared to the present 300 TFLOPS. This center will intend to define our mission in the computational materials science field with our definite originality and creativity and to integrate and synchronize with the different fields and then will contribute to the research and development of materials science field. We would appreciate it if you could support and cooperate with us.


This center was developed from the Laboratory of Materials Information Science which was established in February 1989. Its main tasks are as follows:

[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
  4. Holding Lecture Courses for Application Software in Our Supercomputing System

[Research and Development]

  1. Development and Application of Superlarge-Scale Application Software for Supercomputer
  2. Development of Multi-Physics Computational Science Methodology and Its Application to Materials Design
  3. Research on Basic Theory for Multi-Scale Materials Science and Its Application to Materials Design
  4. Research on Materials Informatics Technology and Its Application to Materials Development

[Collaboration and Support]

  1. Collaboration with HPCI (High Performance Computing Infrastructure)
  2. 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)
  3. Collaboration with and Support for Post-K Priority Issues and Exploratory Challenges Projects
  4. Collaboration with and Support for PCoMS (Professional development Consortium for Computational Materials Scientists)