Numerical strategies towards peta-scale simulations of nanoelectronics devices

Using Numerical Simulations to Study and Design Semiconductors Devices in Micro and Nanoelectronics

Development of numerical techniques toward extreme scale fusion plasma turbulence simulations

The magnetic confinement fusion is one of the most promising approaches to a fusion reactor, and in the next generation experiment, the International Thermonuclear Experimental Reactor (ITER), the scientific and technological feasibility of a magnetic fusion reactor will be demonstrated. Fusion plasmas are extremely complex physical system consisting of multiple fluids (electrons and multiple s...

Progress of Full- f Gyrokinetic Simulation Toward Reactor Relevant Numerical Experiments∗)

Fullf gyrokinetic simulations compute both turbulent transport and profile formations under fixed power, momentum, and particle input as in experiments. This approach has the capability of dictating plasma profiles, provided that time scale of the simulation is long enough to establish power, momentum, and particle balance conditions. Recent Peta-scale supercomputers made such long time scale s...

Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing

We present our perspective and goals on highperformance computing for nanoscience in accordance with the global trend toward “peta-scale computing.” After reviewing our results obtained through the grid-enabled version of the fragment molecular orbital method (FMO) on the grid testbed by the Japanese Grid Project, National Research Grid Initiative (NAREGI), we show that FMO is one of the best c...

Computation-Communication Overlap Techniques for Parallel Spectral Calculations in Gyrokinetic Vlasov Simulations

One of the important phenomena in magnetically-confined fusion plasma is plasma turbulence, which causes particle and heat transport and degrades plasma confinement. To address multi-scale turbulence including temporal and spatial scales of electrons and ions, we extend our gyrokinetic Vlasov simulation code GKV to run efficiently on peta-scale supercomputers. A key numerical technique is the p...