Molecular dynamics calculations

Molecular dynamics calculations

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Credit: Dennis Schroeder/NREL/US DEPARTMENT OF ENERGY/SCIENCE PHOTO LIBRARY

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Caption: Molecular dynamics calculations. Scientists working on an algorithms to be used by the CHARMM (Chemistry at HARvard Macromolecular Mechanics) software tool. Using the NREL (National Renewable Energy Laboratory) petascale supercomputer they can simulate the motions of thousands of atoms, leading to greater understanding of how molecular models work. Photographed at NREL, Colorado, USA.

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