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 ...

Water, so ordinary and so essential to life, acts in ways that are quite puzzling to scientists. For example, why is ice less dense than water, floating rather than sinking the way other liquids do ...

For decades, simulation has been the cornerstone of scientific discovery and hardware design. But despite the advances we’ve made in computing power and tooling, the way we run simulations hasn’t ...