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Contact: Paul Preuss
paul_preuss@lbl.gov
510-486-6249
DOE/Lawrence Berkeley National Laboratory
Caption: Dynamic computer simulations of molecular systems depend on finite time steps, but these introduce apparent extra work that pushes the molecules around. Using models of water molecules in a box, researchers have learned to separate this "shadow work" from the protocol work explicitly modeled in the simulations.
Credit: Lawrence Berkeley National Laboratory
Usage Restrictions: With credit as follows
Related news release: How computers push on the molecules they simulate
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