SEA-CROGS is one of four Mathematical Multifaceted Integrated Capability Centers selected for support by the Department of Energy.

New research makes molecular-level calculations of water faster and easier.

New research shows that compressing quantum circuits decreases noise and increases the accuracy of quantum calculations.

James Ang, John Feo, and Marco Minutoli organized a high performance computing workshop at the prestigious ISC High Performance 2022 conference.

PNNL researchers teamed up with SambaNova to enhance artificial intelligence for scientific computing.

TransMED analyzes patient data from similar diseases across multiple sources to understand COVID-19 patient outcome risk factors.

Tiffany Kaspar’s work has advanced the discovery and understanding of oxide materials, helping develop electronics, quantum computing, and energy production. She strives to communicate her science to the public.

Business, industry, and government careers were a focus of the PNNL-led Mathematics Research Communities conference.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

Xantheas awarded a visiting fellowship from the International Center for Advanced Studies of Energy Conversion in Germany.

Structural changes in heavy water occur at different temperatures than in standard water.

The size of the alkali metal within the material influences the crystallization pathway.

Parallel graph neural networks identify protein-ligand 3-D structural interactions to aid in protein function prediction and drug discovery.

PNNL experts perform fundamental climate science work at multiple scales to understand impacts on energy, water, food, and infrastructure systems.

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

Anika Halappanavar’s research into COVID-19 misinformation earned her recognition by the Washington State Academy of Sciences as one of the state’s top high school researchers.

A comprehensive understanding of the electronic structure of uranyl ions provides insight into the chemistry of nuclear waste and uranium separation technologies.

Researchers achieved the complete assignment of the infrared spectrum of a hydronium-water “magic number” cluster reported in Science in 2004.

Researchers have been investigating if machine learning techniques could be used to help create novel beers.

PNNL is highlighting scientific and technical experts in the national security domain who were recently promoted to scientist and engineer Level 5, one of PNNL’s most senior research roles.