CCMS

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

Guidance of CCMS

Greetings

Head, Momoji KUBO
　Head, Momoji KUBO

　Great expectations towards the computational and data science have been growing and growing in recent years in order to achieve the future societies that humanity strives for, such as creating prosperous and livable societies with well-being, achieving carbon neutrality to suppress global warming and extreme weather, building resilient nations that protect human lives and recovers quickly from large-scale disasters, and developing Society 5.0 which integrates cyber and physical spaces to promote economic development and resolve social issues.
　Currently, “Program for Promoting Researches on the Supercomputer Fugaku”, administrated by the Ministry of Education, Culture, Sports, Science and Technology, aims to promote computational and data science using Japan's flagship supercomputer “Fugaku”. This Center for Computational Materials Science (CCMS) is organizing one of the projects under this program; “Development of Data-Driven Research Methods Led by Computational Materials Science and Material Innovation (DDCoMS)” (Project Leader: Momoji Kubo). This project started in 2023 and is running by a team of around 120 people divided into five subgroups: Sub-project A: Structural Materials, B: Magnetic Materials, C: Electrochemical Materials, D: Electronics Materials, and E: Bio-Polymer Materials. Particularly, innovative computational science methods and data science technologies based on large-scale, long-time, and massive calculations which can only be realized by “Fugaku” are being developed.
　The supercomputing system of CCMS is positioned in the second tier of Japan's computing resource hierarchy, directly connected to the flagship supercomputer “Fugaku”, and is expected to make a significant contribution to the advancement and promotion of materials science. In June 2025, CCMS started operating a new supercomputing system called “MASAMUNE-II”, consisting mainly of HPE Cray XD220v and HPE Cray XD670 systems. Compared to the previous system, the computing performance has been enhanced to 4 PFLOPS, and it consists of three systems tailored to user’s needs. As an international collaborative research institute, CCMS provides supercomputer computing resources not only to the Japanese materials science community but also to the overseas users. CCMS also promotes the development of application software for supercomputers and their application to materials science. Our aim is to advance creative and innovative research, contributing materials science field as a leading supercomputer center with high originality and creativity. We would appreciate your continuous support and cooperation with CCMS.

Works

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 Program for Promoting Research on the Supercomputer Fugaku
  4. Management of PCoMS (Professional development Consortium for Computational Materials Scientists)
  5. Management of CMSF (Computational Materials Science Forum)
    (Collaboration with Supercomputer Centers in Institute for Solid StatePhysics, Institute for Molecular Science, and R3 Institute for Newly-Emerging Science Design)