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COMPUTATIONAL SCIENCES, SEMINAR ANNOUNCEMENT

“Infrastructure for Atomistic Modeling - Mechanistic Understanding and Prediction”

Hannes Schweiger
Materials Design

Wednesday, September 07, 2011 at 3:30 p.m.
(Refreshments at 3:00 pm)
327 McVey Hall

ABSTRACT

Computational Material Science and Atomistic Modeling have come a long way with the advent of powerful and affordable computing resources, so they are widely used in academia. However, there is still a gap to bridge for wide-spread use and acceptance of property prediction in industry.

Application examples in long-range ordering and decomposition in alloys, dislocations, diffusion and solubility will illustrate the unique challenges to ask "doable" questions and get usable answers for problems between the established methods and fields in physics, chemistry and materials science.