| Home : May 21 2018 Computer News : Supercomputing the emergence of material behavior |
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Supercomputing the emergence of material behavior |
May 21, 2018
Chemists have designed the first artificial protein assembly (C98RhuA) whose conformational dynamics can be chemically and mechanically toggled. The Maverick GPU-based supercomputer at the Texas Advanced Computing Center simulated the system through an allocation on NSF-funded XSEDE, the Extreme Science and Engineering Discovery Environment. The research could help create new materials for renewable energy, medicine, water purification, and more.
Link: https://www.sciencedaily.com/releases/2018/05/180517142529.htm
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