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Low-dimensional representations for learning fast molecular dynamics simulations and new visualizations

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Friday, February 07, 2014
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12:00 pm - 1:00 pm
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Miles Crosskey ยท Duke Math
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Visualization Friday Forum

Protein folding and other molecular dynamics simulations are a crucial tool for understanding the biochemical underpinnings of life, but even with powerful computers researchers are unable to simulate the important state transitions at physiological temperatures. I will present some new work which uses local dimensionality reduction to learn approximate simulations which run hundreds of times faster than the originals, along with some web-based visualizations we're developing to explore the results.

Contact: Angela Zoss