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TACC Supercomputers Used to Explore Chemical Bonds

A Texas Tech researcher is using TACC supercomputers to explore chemical reactions at the atomic level. Empowered with the computation might of Lonestar, Ranger, and Kracken, Dr. William Hase is now able to examine the dynamics of individual molecules when they collide.

For molecules to react, they need specific types of geometries, specific types of energies, and certain types of motion,” Hase explained. “Reactions are often not random. They’re very specific in terms of what’s going to react.”

Hase’s work spawned recent articles in Nature Chemistry, the Journal of Physical Chemistry, the Journal of Chemical Physics, and the Journal of the American Chemical Society (JACS). Read the Full Story.

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