Workshop II: Multiscale Modeling in Condensed Matter and Materials Sciences, including Mini-Workshop: Time Acceleration Methods in Atomistic Simulations

October 17 - 22, 2005

Schedule


Monday, October 17, 2005

9:00 - 9:50
Sidney Yip (Massachusetts Institute of Technology)

Atomic-Level Measures of Strength, Deformation and Reactivity

10:20 - 11:10
11:10 - 12:00
Ashwin Ramasubramaniam (California Institute of Technology)

Discrete Dislocation Dynamics in Crystals

2:00 - 2:50
Efthimios (Tim) Kaxiras (Harvard University)

Multiscale modeling of materials

3:20 - 4:10
4:10 - 5:00

Tuesday, October 18, 2005

9:00 - 9:50
10:20 - 11:10
Peter Kratzer (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

Growth-related Structural and Electronic Properties of InAs Quantum Dots on GaAs

11:10 - 12:00
2:00 - 2:50
3:20 - 4:10
Chaouqi Misbah (Centre National de la Recherche Scientifique (CNRS))

Surface instabilities driven by stress
Presentation (PowerPoint File)

4:10 - 5:00

Wednesday, October 19, 2005

9:00 - 9:50
Peter Voorhees (Northwestern University)

Multiscale Modeling of Quantum Dot Formation on Surfaces

10:20 - 11:10
Jerry Tersoff (IBM Thomas J. Watson Research Center)

Epitaxial nanostructures -- atomic-scale effects in continuum modeling

11:10 - 12:00
Gerhard Klimeck (Purdue University)

Atomistic simulations of long-range strain and close-range electronic structure in self-assembled quantum dot systems

2:00 - 2:50
Jean-Pierre Leburton (University of Illinois at Urbana-Champaign)

 

3:20 - 4:10
Karsten Reuter (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

First-principles statistical mechanics for heterogeneous catalysis

4:10 - 5:00

Thursday, October 20, 2005

9:00 - 9:50
Jerry Bernholc (North Carolina State University)

Atomic Scale Design of Nanostructures

10:20 - 11:10
David Tomanek (Michigan State University)

Designing Carbon-Based Nanotechnology on a Supercomputer
PDF Presentation

11:10 - 12:00
2:00 - 2:50

Friday, October 21, 2005

9:00 - 9:50
Graeme Henkelman (University of Texas at Austin)

Sintering dynamics of small Pd clusters on the MgO(100) surface

10:20 - 11:10
Peter Bolhuis (University of Amsterdam)

 

11:10 - 12:00
2:00 - 2:50
3:20 - 4:10
Blas Uberuaga (Los Alamos National Laboratory)

Parallel-Replica Dynamics: Method and Applications

4:10 - 5:00
Kristen Fichthorn (Pennsylvania State University)

Time Acceleration Methods in Atomistic Simulations


Saturday, October 22, 2005

9:00 - 9:50
David Wales (University of Cambridge)

Energy Landscapes and Discrete Path Sampling

10:20 - 11:10
Dionisios Vlachos (University of Delaware)

Multiscale Methods for Stochastic Simulation

11:10 - 12:00
1:30 - 2:20
2:20 - 2:50