Share Your Science: Fighting Ebola with Supercomputer Simulations
By Nadeem Mohammad, posted Jan 16 2017 at 12:06PM
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Thomas Cheatham, professor of Medicinal Chemistry and the director of research computing at University of Utah shares how they’re using the GPU-accelerated Blue Waters supercomputer and NVLink to compute the interactions of atoms that can lead to drug design and materials design. “The GPUs have been really helpful, because we’ve optimized our codes (AMBER, a