Summer Schools
- Quantum Monte Carlo from Minerals and Materials to Molecules (2007)
- Multiscale Theory, Simulation, and Reality at the Nano-Bio Interface (2007)
- Ab Initio Molecular Dynamics Simulation Methods in Chemistry (2006)
Funding for workshops
The MCC will consider proposals for workshops either held on the UIUC campus or workshops organized jointly with Psi-K or CECAM.
Workshops
2001 Summer School on Computational Materials Science
Tools for multiple length and time scales
Last updated July 18, 2001 We introduced the tools and concepts used in first principles simulations of atomic and molecular systems: the use of the fundamental laws of matter with high performance computing to enable predictions of experimental properties of materials. The basic simulation and electronic structure methods were covered in the first week. In the second week, recently developed methods for handling systems with longer time and of larger size were discussed.
Topics and presenters
| Presenter name | Link to the presentation file |
|---|---|
| Noam Bernstein Naval Research Laboratory | Coupling Molecular Dynamics and Continuum Methods |
| Tim Germann Los Alamos National Laboratory | Accelerated Molecular Dynamics Methods |
| Jan Jensen University of Iowa | Quantum Mechanics / Molecular Mechanics Methods |
| Jeongnim Kim Ohio State | Object-oriented programming |
| Blair Tuttle Pennsylvania State University, Behrend | Point Defects in Semiconductors |
| David Ceperley University of Illinois | Introduction to Computer Simulation of Atomic-Scale Systems |
| Eric de Sturler University of Illinois | Iterative Methods for Linear, Non-linear, and Eigenvalue Problems |
| Duane Johnson University of Illinois | Kinetic Monte Carlo: Bare Bones and a Little Flesh |
| Richard Martin University of Illinois | Density Functional Theory |
| Todd Martinez University of Illinois | Basics of Quantum Chemistry |
Sponsors
The Summer School was held at the Beckman Institute on the University of Illinois, Urbana-Champaign campus and was sponsored in part by:
- Materials Computational Center
- National Center for Supercomputing Applications
- Department of Physics
- Frederick Seitz Materials Research Laboratory
- Computational Science and Engineering Program
- NSF Combined Research-Curriculum Development Program
Figure from Blair Tuttle et al.
Figure from Noam Bernstein et al.
