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Computationally intensive scientific work shared on nanoHUB


Computing-intensive tools on nanoHUB have been used to produce images of a quantum dot (a, b) and atomistic devices (c and d, nanowire; e and f, nanotube).

NanoElectronic Modeling (NEMO) and OMEN simulation tools—critical to the work published in Science and Nature Nano in 2012 on the single-atom transistor—are shared on nanoHUB and accessed by over 10,800 users.

Through nanoHUB, the Network for Computational Nanotechnology (NCN) provides access to over 260 simulation tools; among them, there are eight tools comprising NEMO and OMEN. The NEMO and OMEN tools have powered over 166,700 simulation runs on nanoHUB.

nanoHUB applications scale to suit a range of computing environments from a single user’s desktop to the largest supercomputers in the world. Three years ago, a National Science Foundation (NSF) Peta-Apps award enabled scaling the NCN-seeded OMEN effort to extremely large high-performance computing resources to answer fundamental questions of carrier transport at the nanometer-scale. OMEN is the first engineering code running at the peta-scale on the largest U.S. computer, Jaguar, and it has been demonstrated to scale almost perfectly to 221,400 cores.

Last year, NCN Director Gerhard Klimeck’s research group received the ACM Gordon Bell Prize Honorable Mention for a paper titled, “Atomistic Nanoelectronics Device Engineering with Sustained Performances Up to 1.44 PFlop/s.”

Researchers led by Klimeck at Purdue University are developing a new simulation engine that combines the NEMO 1-D and NEMO 3-D capabilities into new codes entitled OMEN and NEMO5, and the new codes will be published on nanoHUB. The NEMO and OMEN codes represent 18 years of development and require peta-scale engineering.

Last updated 30 September 2012