More than a year ago, computational scientists at the Department of Energy's Oak Ridge National Laboratory published a study in the Journal of Chemical Theory and Computation that raised a serious ...

In molecular dynamics simulations of water systems, where water molecules are treated as rigid bodies, it is important to use a small time-step. This small time-step helps ensure that the average ...

Ice cubes float in water because they’re less dense than the liquid. But a newfound type of ice has a density nearly equal to what’s in your water glass, researchers report in the Feb. 3 Science. If ...