A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success.

CACTUS provides AI-powered cheminformatics for autonomous science.

Scientists are using artificial intelligence and powerful computing to sculpt new molecules in an effort to treat disease.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

PNNL researchers have developed a new, physics-informed machine learning model that accurately predicts how heat accumulates and dissipates during friction stir processing.

Neeraj Kumar discusses how AI can transform scientific research at the Platform for Advanced Scientific Computing Conference and Trillion Parameter Consortium European Workshop.