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 ...

Researchers in the US and Italy have identified a second critical point in two realistic theoretical models of water. This finding, which draws on state-of-the-art computational methods and supports a ...

Today IonQ announced that its quantum computer has achieved a critical milestone: simulating the water molecule with accuracy approaching what is needed for practical applications in the promising ...

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 ...