CHARMM, Chemistry at Harvard Molecular Mechanics

NREL scientists Michael Crowley and Antti-Pekka Hynninen have developed algorithms that speed calculations done by the software tool CHARMM by several orders of magnitude, using code such as the one pictured. Using NREL's new petascale supercomputer housed in the Energy Systems Integration Facility, they can simulate the motions of thousands of atoms, leading to greater understanding of how molecular models work. (Photo Illustration by Dennis Schroeder / NREL)
Originally uploaded in Integrate:Teaching for Sustainability.

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