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

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.

PNNL Laboratory fellow Dave Heldebrant has been selected as a 2022 fellow by the American Chemical Society.

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.

A new perspective article discusses how integrating carbon dioxide capture and conversion in solvents can lead to cheaper and more efficient carbon management systems.

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

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

Ionic liquids bound to thin layers of graphene oxide produces more selective and efficient multi-layer membranes for water filtration.

New facility will accelerate energy storage innovation, increase clean energy adoption and grid resilience.

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

Focused research studies of advanced algorithms and materials are setting the stage for the next generation of quantum computers.

Morris Bullock received an award and PNNL staff organized symposia and presented exciting research.

Quantum simulators help navigate noise on GPU-based HPC systems.

Surface characterization allows researchers to explore the compatibility between different solvent-membrane combinations.

PNNL Chief Scientist for Computing Jim Ang will be part of a DOE Office of Science virtual discussion regarding industry collaborations on AI hardware.

Four research staff from PNNL are part of an international team that earned top honors for a journal paper focused on a new algorithm-evaluation approach for buildings.

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.