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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.
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 nonequilibrium Green’s functions, nanofluidics and Nano-ElectroMechanical 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.
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).
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.
MCC website: http://www.mcc.uiuc.edu
©Board of Trustees University of Illinois

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