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 ...

This schematic shows the rotational motion of a specific water molecule. At equilibrium, on average, the energy associated with rotational motion must equal the energy associated with the translation ...

Scientists have developed a powerful new way to trace the journey of water across the planet by reading tiny atomic clues hidden inside it. Slightly heavier versions of hydrogen and oxygen, called ...

Using the now-decommissioned Summit supercomputer, researchers at the Department of Energy's Oak Ridge National Laboratory ran the largest and most accurate molecular dynamics simulations yet of the ...

In the everyday world, governed by classical physics, the concept of equilibrium reigns. If you put a drop of ink into water, ...

In salt water solutions, water molecules rapidly move around salt ions at a scale of more than a trillion times a second, according to both experiments and simulations. In salt water solutions, water ...

FAYETTEVILLE, Ark. – University of Arkansas researchers have become the first scientists to show that liquid water could exist for considerable times on the surface of Mars. Julie Chittenden, a ...