2004 Summer School on Computational Materials Science

Introduction to Computational Nanotechnology

Overview

Molecular Dynamics simulation of water inside a carbon nanotube (N.R. Aluru, UIUC) This short course will explore a range of computational approaches relevant for nanotechnology. Instructional materials are based on cutting edge, contemporary research, with an emphasis on problems in nano-scale science and engineering. The instructional level of the school will be appropriate to graduate students and post-docs, and will include both lectures and computer laboratories.

Topics will include:

  • Density functional theory, applied to the study of electronic properties of nanostructures
  • Non-equilibrium Green's functions for transport application
  • Carbon nanotubes and molecular electronics
  • NEMS (nano-elecrical-mechanical systems)
  • ionic transport in biological and biomimetic structures
  • numerical methods.

Program

Updated April 29, 2004

Topics and presenters, in chronological order

Topics and presenters, in chronological order
Date and Topic Presenter name Link to the presentation file
Monday, June 7 and Tuesday, June 8 Jeongnim Kim, NCSA/Materials Research Lab, UIUC
Richard Martin, Physics, UIUC
Density Functional Theory and Related Computational Approaches
Wednesday, June 9 Eric de Sturler, Computer Science, UIUC Numerical Methods
Thursday, June 10 Kyeongjae Cho, Mechanical Engineering, Stanford University Carbon Nanotubes
Friday, June 11 Umberto Ravaioli, ECE, UIUC Review of several quantum solvers and applications
Trudy van der Straaten, Beckman Institute, UIUC Ionic Channels
Monday, June 14 Gerhard Klimeck, ECE, Purdue Non-equilibrium Green's functions, introduction and applications
Tuesday, June 15 Susan Sinnott, Material Science and Engineering, University of Florida Nanofluidics, NEMS
Wednesday, June 16 Narayan Aluru, Mechanical Engineering, UIUC NEMS
Thursday, June 17 N/A Special topics, school wrap-up
NSF Division of Materials Research ITR Computational Workshop
Friday, June 18 N/A NSF Division of Materials Research ITR Computational Workshop
Laboratory visits and research discussions

Applying to the School

Updated 4/28/2004 The application deadline, Wednesday, April 28, 2004, has passed. Please contact the Summer School Organizer, Umberto Ravaioli, about questions regarding applications,

Registration fee for accepted participants is $50.00, to cover the cost of educational materials. For registered off-campus participants, housing at a residence hall will be provided by the school.

Additional information

Related information: Campus Map

Sponsors

The Summer School is held at University of Illinois, Urbana-Champaign campus and is sponsored in part by:

Model of a molecular device (S. Datta, Purdue)