One of the most influential science studies of all time started with a modest minicomputer, some simulated boxes of water molecules, and a grand vision for computer-aided chemistry. The year was 1982.

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 ...

A team of Chinese researchers use computer simulations to provide new answers to a long-standing dispute in the field of material and chemical physics field regarding how water droplets freeze.

Hybrid climate modelling has emerged as an effective way to reduce the computational costs associated with cloud-resolving models while retaining ...

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 ...