The Center is developing advanced simulation software for use on Japan’s next-generation ‘K’ supercomputer crucial to increasingly specialized branches of knowledge and technology. It is participating in research and development teams targeting molecular-scale and organ/whole body-scale analysis systems as part of the research and development of next-generation integrated simulation software targeting living matter within the development of “Grand Challenge” software applications under the MEXT “High Performance Computing Infrastructure (HPCI)” initiative. The Center’s own targets are to clarify the role of non-localized molecular orbits in photosynthesis by total simulation of light-harvesting antenna protein (Fig. 1) and to perform multi-scale physics simulations on the cerebral vascular system (Fig. 2).
Life science is a field typified of complex systems in which understanding properties only on the basis of isolated parts is extremely difficult. Petascale computing establishes a new methodology and a strong weapon for making breakthroughs. It is the driving force behind a paradigm shift to exascale computing of the future.