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 ...

A new study provides strong evidence for a controversial theory that at very cold temperatures water can exist in two distinct liquid forms, one being less dense and more structured than the other.

The study of water and ice through the lens of chemical physics continues to elucidate the intricate interplay of hydrogen‐bond dynamics and molecular interactions that govern their anomalous ...

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 ...