When 9:00 AM - 10:30 AM Sep 22, 2006
Where 1670 CSE
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Atomic-Scale Simulations in the Nanoscience of Interfaces

Kristen A. Fichthorn - Penn State University

With increasing capacity for computation in recent years, along with algorithmic advances, molecular-level simulations can allow for discoveries in nanoscience that yield predictive power for nanotechnology. In this talk, I will highlight two such examples from our recent work. In one project, we are using molecular-dynamics and Monte-Carlo simulations to understand the forces and assembly of colloidal nanoparticles. I will illustrate the complex dependence of nanoparticle solvation forces on particle size and shape and their role in determining the stability and assembly of nanoparticle suspensions. In a second project, an ongoing effort in our research has been to develop algorithms for multi-scale modeling of thin-film epitaxy and catalysis at surfaces. I will highlight our recent work on accelerated molecular-dynamics simulations and their application to understanding the growth of Co on Cu surfaces.

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