the supercomputer Fugaku
Industrial usage guide for HPCI including supercomputer Fugaku
Use case in Materials Informatics
Use case in the development of all-solid-state battery
【Time】12:50-13:35
RIKEN
Center for Computational Science
Director
Prof. Satoshi Matsuoka
【Abstract】
Japan's flagship supercomputer Fugaku, which became operational in March 2021, is designed to achieve world-class performance as well as broad versatility regarding users and applications, with good connectivity with other branches of IT. As a result, both first principle as well as AI-based simulation technologies, previously realized by supercomputers in limited number of fields, will become commonplace for supercomputing in general and play a central role in the DX towards Society 5.0. The wide applicability of "simulation first" philosophy will realize DX in wide variety of industrial manufacturing and lead to the strengthening of Japan's competitiveness. We continue to improve Fugaku, in terms of software, operations, applications etc. for such purposes; in particular, Fugaku is expected to produce innovative results in a wide range of nanotechnology fields, and will contribute not only to the simulation part but also to material informatics in general due to its versatility.
The University of Tokyo
Department of Physics
Professor
Prof. Shinji Tsuneyuki
【Abstract】
The role of computer simulation in materials research is threefold. The first is to create materials based on fundamental equations in a virtual space in a computer and to calculate physical quantities that are difficult to measure, thereby advancing the understanding of physical properties and their expression mechanisms. The second is to predict material properties. The third is to predict new materials with desired properties by using data science methods such as machine learning in addition to virtual screening using a large number of simulations. Fugaku is expected to contribute to materials research because of its unprecedented performance in both advanced simulation and machine learning. In this talk, I will introduce advanced examples of seven materials research projects (batteries, magnets, semiconductors, polymers, etc.) selected by the MEXT's "Program for Promoting Research on the Supercomputer Fugaku" and look ahead to future materials DX using supercomputers.
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RIKEN Computational Science Center
Computational Science Promotion Office