Objectives: Education and outreach to the computational materials community.

1
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 non-equilibrium Greens 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).