Outline of the Research Project

FLAGSHIP2020, MEXT within the priority issue (Development of new fundamental technologies for high-efficiency energy creation, conversion/storage and use)

Post-K Supercomputer Priority issue - "Development of new fundamental technologies for high-efficiency energy creation, conversion/storage and use" - a FLAGSHIP2020 project funded by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan

FLAGSHIP2020: Post-K Supercomputer Development Project

A new supercomputer is being developed as a successor to the K supercomputer. The system and application software are being developed cooperatively. It is hoped that these will help solve various social and scientific issues.


  • FY2014 - FY2019: Development of the system and application software.
  • FY2020 - : Application and use of the system for priority researches, as a separate project.

Research and Development Organizations

  • Post-K supercomputer system development: RIKEN AICS, with Fujitsu Ltd.
  • Priority research: Nine issues were defined by the government. Following this, contract organizations were sought and decided upon. From April 2014 to August 2014, a MEXT committee discussed and determined nine priority issues in the areas of healthy long life, disaster prevention and mitigation, energies, industry competitiveness, and basic science. In October 2014, a general call for priority researches in these areas was issued. In December 2014, the nine organizations were selected.

Priority issue group 5 and its research group

  • Priority issue group 5: One of the nine above-mentioned issues.
  • Representative organization: Institute for Molecular Science (IMS). Assignment organizations: Kobe University, RIKEN, the University of Tokyo, National Institute for Material Science (NIMS), Nagoya University, Okayama University, Hokkaido University, and Waseda University. In the application, there are provisions for 11 principal researchers, 26 post-doctoral researchers, one secretary, and two assistants.
  • Cooperating organizations: 46 organizations, including 14 for-profit companies (at the time of the application).

Outline of Research

The highly integrated computer resources of the post-K supercomputer will allow us to expand our current research across many disciplines further. Realistic simulations will be made possible at the electronic and molecular scales, and will help us gain the details of chemistry and physics in complex compounds that play substantial roles in solar energy reactions and electrochemical processes. We propose to perform these state-of-the-art calculations to unravel several issues; the mechanisms of production and storage of alternative energy sources with solar cells and artificial photosynthesis; conversion and storage of energies produced in fuel cells and rechargeable batteries; separation, recovery, and storage of methane and CO2; effective use of energies and resources produced by catalytic reactions. We are also collaborating with experimental researchers and industries to establish new energy technologies that are highly efficient, low cost, environmentally clean, and sustainable. Due to the restriction in computer resources, computational researches have been typically limited to the investigation of isolated and/or partial systems to provide only one aspect of the entire system. The post-K supercomputer is powerful enough to make such calculations obsolete; it will open new frontiers and establish the new academic standard in computational chemistry and physics, enabling the understanding of fully complex physics associated with interfaces of real materials as well as inhomogeneous electrons and molecules.


Contact Us "Development of new fundamental technologies for high-efficiency energy creation, conversion/storage and use" INSTITUTE FOR MOLECULAR SCIENCE (IMS), National Institute of Natural Sciences
Location 38 Nishigo-Naka, Myodaiji-cho, Okazaki-shi, Aichi-ken, 444-8585, Japan
Phone +81-(0)564-55-7353
FAX +81-(0)564-54-7025
E-mail ft-energy-office
※ Please add "@yfep2.ims.ac.jp" to the above.