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Objectives: Education and outreach to the computational materials community.

Materials Computation Center, University of Illinois Duane D. Johnson and Richard Martin, NSF DMR-03-25939 Summer School on Introduction to Computational Nanotechnology Umberto Ravaioli (MCC-UIUC). Objectives: Education and outreach to the computational materials community.

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Objectives: Education and outreach to the computational materials community.

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  1. Materials Computation Center, University of Illinois Duane D. Johnson and Richard Martin, NSF DMR-03-25939Summer School on Introduction to Computational Nanotechnology Umberto Ravaioli (MCC-UIUC) Objectives:Education and outreach to the computational materials community. Approach: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, and 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 MCC website. Co-support obtained from NSF NCN by U. Ravaioli and CRCD by D. Ceperley EE-0088101. Learning by doing:Participants simulated gas diffusion in a carbon nanotubes using molecular dynamics in the lab taught by Susan Sinnott Significant results: The two-week school was attended by 41 US-based and 24 international participants. There were 10 women and 55 men from 30 institutions (56 graduate and 1 undergraduate students, 3 post-docs, 5 faculty).

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