The Network for Computational Nanotechnology (NCN) is a multi-university, NSF-funded initiative with a mission to lead in research, education, and outreach to students and professionals while at the same time deploying a unique web-based infrastructure to serve the nation's National Nanotechnology Initiative. The primary NCN outreach vehicle is our web site http://nanoHUB.org, which currently provides interactive on-line simulation and educational resources such as tutorials, seminars, and

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... ne courses. The educational and outreach resources were used in 2004 by over 3,200 users. Over 1,000 users performed over 60,000 on-line simulations. The raw web-page hit exceeded 3.7 million. Around 30 research codes are available ranging from toy-models to sophisticated simulation engines. The NCN provides the resource for models, simulation and computation without any software installation for users via web-delivery. All the NCN services are free of charge and reach a broad audience. One facet of this infrastructure involves the development of new "community codes" that provide the nanoscience research community with new capabilities and that lay a foundation for a new generation of CAD tools. Each research team has a research mission to move its field ahead and an equally important mission to contribute resources to the NCN's infrastructure. One such community tool is NEMO 3D which has been publicly released and recently expanded in its capabilities through detailed numerical performance analysis.