A team of researchers at Oak Ridge National Laboratory has published a new study in the Royal Society of Chemistry's journal Chemical Science that shows how using the "standard" 2 (or more) femtosecond time step -- the time interval at which computer simulations are analyzed -- can lead to errors in molecular dynamics simulations involving water.Researchers Confirm Method Used in Water Simulations Can Cause Errors
July 14, 2025
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A team of researchers at Oak Ridge National Laboratory has published a new study in the Royal Society of Chemistry's journal Chemical Science that shows how using the "standard" 2 (or more) femtosecond time step -- the time interval at which computer simulations are analyzed -- can lead to errors in molecular dynamics simulations involving water.
