Share Your Science: Fighting Ebola with Supercomputer Simulations

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 package of programs for molecular dynamics simulations) that run really efficiently on many GPUs,” says Dr. Cheatham. “The (Telsa) P100s have been amazing, super-fast – work that would take weeks, we can do in days.”

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About Brad Nemire

Brad Nemire
Brad Nemire is on the Developer Marketing team and loves reading about all of the fascinating research being done by developers using NVIDIA GPUs. Reach out to Brad on Twitter @BradNemire and let him know how you’re using GPUs to accelerate your research. Brad graduated from San Diego State University and currently resides in San Jose, CA. Follow @BradNemire on Twitter
  • Steve

    I thought Geforce cards were faster for AMBER, the P100 wasn’t recommended and NVLink was too expensive and made not real difference. Did I miss something?