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

Benjamin Haley, Purdue University - Main Campus
Sunhee Lee, Purdue University - Main Campus
Mathieu Luisier, Purdue University - Main Campus
Hoon Ryu, Purdue University - Main Campus
Faisal Saied, Purdue University
Steven Clark, Purdue University - Main Campus
Hansang Bae, Purdue University - Main Campus
Gerhard Klimeck, Network for Computational Nanotechnology, Purdue University

Abstract

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 I 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.

Discipline(s)

Engineering | Nanoscience and Nanotechnology