Nextx -Generation Supercomputer

The “Grand Challenge” software applications
One goal of the Next-Generation Supercomputer project is to develop major software applications for the life sciences andnanotechnology and to deploy those applications on a wide range of platforms. We call the software for these two fields the“Grand Challenge” software applications.

The Next-Generation Integrated Simulation of Living Matter
RIKEN is developing new simulation software that will makeBrain and Neural Systems R&D

full use of the Next-Generation Supercomputer's potential in
helping us to understand a wide range of diverse phenomena,from the level of the molecule to that of the entire organism.

Molecular scale
R&D

In developing this new petaflop-scale simulation software,
we adopt both an analytic approach, where we study phenom-Proteins /DNAena through basic principles, and a data-analysis approach,

10-8㹼-6

where we attempt to discover new processes and laws by ana-size

Cellular scale
R&D

Cells

Organ andbody scale R&D

Tissues10-5㹼-4

10-3㹼-2

Organswhole body
circulatoryorgan10-10㸮

micro

macro

lyzing large quantities of experimental data. The new software we are developing takes full advantage of the Next-

Protein structural analysis
Drug response analysis

Molecular network
analysis

Generation Supercomputer's potential by integrating researchcollaborate with industry in applying research results to thereal world in areas such as medical diagnostics, drug discovery and health science.

Vascular system modeling
Skeleton model

Integrated data-analysis R&D

results from across diverse scales with micro- to macro-scale
experimental data. In addition, RIKEN also plans to activelyFluids, heat, structures
Achievement ofchemical reactions

microscopic approachmacroscopic approach

Quantum chemistry andmolecular dynamics simulations

Continuum simulations

Development and sophistication of basic simulation software

Research and Development on Next-Generation Integrated Nanoscience Simulation
This project, based at Institute for Molecular Science (IMS),
is developing theoretical and computational methodologies
in molecular and materials science which aim to analyze andpredict various properties of nanoscale materials through extensive and accurate computations. The project must therefore develop simulation software for computational nanosci-

Grand Challenges inNext-Generation
Integrated Nanoscience
Next-Generation
Integrated Nanoscience
Simulation Software
Cooperation with experimental andindustrial researchers
Human resources development

ence based on theoretical processes, which will be optimized

Next-Generation
Nano Biomolecules

for the Next-Generation Supercomputer. Research activities

Medical & Medicinal Creation,
Drug Delivery System Infrastructure

are being conducted in collaboration with academic and industrial researchers in Japan, and focus on three fields:"Next-Generation Functional Nanomaterials for Information

・Nonlinear Optic Components
・Nanoquantum Devices
・Spin Electronics
・Super High-density Storage
Devices・Compound Electronic Devices

Novel materials Solid surface

High-speed, Powerfully-featured,
Energy-serving Electronic Devices

Next-Generation Functional Nanomaterials
for Information Technology
Photo-induced
phase transition

Magnetic properties

Next-Generation Energy
Green Energy

・Solar Energy Storage
・Alcohol Fuels
・Fuel Cells
・Electrical Energy Storage

・Viruses
・Cell Membranes
・Nanoprocesses for
Drug Delivery Systems
・Protein Control

Image of
Next-Generation Supercomputer
facility

N aﬁon15nm

Technology", "Next-Generation Nano Biomolecules", andWater"Next-Generation Energy", which we refer to as the grandchallenge targets.

T4 bacteriophage

Liposome

Nafion mesoscale
film structure

Cellulolytic enzymes

Polio Virus

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