Materials Computation Center, University of Illinois

1. Materials Computation Center, University of Illinois Duane Johnson and Richard Martin, NSF DMR-03-25939Summer School on Introduction to Computational Nanotechnology Support from co-PI: David Ceperley, NSF (CRCD) EE-0088101 • Education and Outreach (2004) • Computational applications in nanotechnology requires working knowledge of interdisciplinary approaches, involving physics, chemistry, engineering, and computer science. The two-week Summer School on Introduction to Computational Nano-technology (organized by Umberto Ravaioli with eleven other lecturers) provided theoretical instruction and practical computational experience on a range of topics, including: • Density functional theory and band structure calculations • Numerical methods • Carbon nanotubes • Nanoelectronic and molecular devices • Transport with non-equilibrium Green’s functions • Nanofluidics and Nano-Electro-Mechanical Systems • Charge transport in ionic channels • After morning lectures, afternoons were devoted to computational laboratories, working on a variety of problems and approaches. Several computer sessions were based on software residing of the nanoHUB portal of the NSF Network for Computational Nanotechnology (NCN) at www.nanohub.org. • Web-published lectures (including audio), notes, and labs, from contributing Lecturers will be posted at www.mcc.uiuc.edu. • Co-support obtained from NSF NCN by U. Ravaioli Learning by doing:Participants simulated gas diffusion in a carbon nanotubes using molecular dynamics in the lab taught by Susan Sinnott. Diverse participants: The two-week school was attended by 41 US-based and 24 international participants. There were 10 women and 55 men from 30 institutions, comprising 57 graduate students, 3 post-docs, 5 faculty, and one undergraduate student.