Atomistic Nanoelectronic Simulation through nanoHUB.org

James Fonseca and Gerhard Klimeck

Network for Compuational Nanotechnology at Purdue University

The nanoelectronic modeling software, NEMO5, developed in Klimeck’s iNEMO research group computes strain, phonon spectra, electronic band structure, charge density, charge current, and other properties of nanoelectronic devices using the tight binding approach implemented with NEGF to model nanoelectronic devices at the atomic level. nanoHUB.org is a cyberinfrastructure for nanotechnology research which hosts thousands of resources including presentations, online courses, and simulation tools and is run by the Network for Computational Nanotechnology at Purdue, of which the PI is the director. Through a web browser, users can run simulation tools which are powered by Purdue University’s computational resources. There are 9 nanoHUB.org simulation tools powered by NEMO5 and predecessors that have been used to run 420,000 simulations by over 2,800 users. These tools include simulations of quantum transport and quantum dots as well as education-focused tools such as a crystal viewer and Brillouin zone viewer. NEMO5 source code and support materials are also available through nanoHUB.org. Additionally, nanoHUB.org is free to use and any researcher or student can upload their own materials and tools to reach nanoHUB.org’s 300,000+ users.