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.

Three PNNL technologies have been named 2024 R&D 100 Award winners.

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

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

PNNL computing experts Robert Rallo and Court Corley contribute their knowledge to a recent DOE report on applications of AI to energy, materials, and the power grid.

PNNL scientists have put forth a new approach to protect the electric grid, creating an approach that sorts and prioritizes cyber threats on the fly.