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Advancing nanoelectronic device modeling through peta-scale computing and deployment on nanoHUB

Benjamin P Haley1,2, Sunhee Lee2, Mathieu Luisier1,2, Hoon Ryu2, Faisal Saied3,4, Steve Clark3, Hansang Bae2 and Gerhard Klimeck1,2

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Recent improvements to existing HPC codes NEMO 3-D and OMEN, combined with access to peta-scale computing resources, have enabled realistic device engineering simulations that were previously infeasible. NEMO 3-D can now simulate 1 billion atom systems, and, using 3D spatial decomposition, scale to 32768 cores. Simulation time for the band structure of an experimental P doped Si quantum computing device fell from 40 minutes to 1 minute. OMEN can perform fully quantum mechanical transport calculations for real-word UTB FETs on 147,456 cores in roughly 5 minutes. Both of these tools power simulation engines on the nanoHUB, giving the community access to previously unavailable research capabilities.


PACS

85.35.-p Nanoelectronic devices

85.30.Tv Field effect devices

03.67.Lx Quantum computation architectures and implementations

85.30.De Semiconductor-device characterization, design, and modeling

Subjects

Computational physics

Electronics and devices

Semiconductors

Nanoscale science and low-D systems

Quantum information and quantum mechanics

Dates

Issue 1 (2009)



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