Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.

Under an optical field, nanoparticle attachment in a model system heavily depends on surface roughness.

Directionally biased electrostatic interactions are the key to significantly tuning the reduction potential of iron/sulfur clusters.

Developing a new scheme to more efficiently solve quantum chemistry problems.

Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.

Chemist Wendy Shaw, a nationally recognized scientific leader, has been chosen to serve as the associate laboratory director for PNNL's Physical and Computational Sciences Directorate.

Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing.

Nine national laboratories, including PNNL, bring together over 1,000 scientists for a day to use AI to accelerate scientific discovery.

For PNNL’s Jonathan Evarts, Hope Lackey, and Erik Reinhart, this partnership with WSU opened doors and provided opportunities for their scientific careers to flourish.

A team from PNNL contributed several articles to the Domestic Preparedness Journal showcasing recent efforts to explore the emergency management and artificial intelligence research and development landscape.

A series of conference panels recently explored how new and evolving technologies can support emergency managers’ responsibilities.

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.

Four engineers at PNNL received awards for nuclear science presentations related to Hanford Site cleanup at the annual meeting of the world's leading organization for chemical engineering professionals.

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

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

Molecular simulations highlight the key interactions between mineral surfaces and organic matter that lead to carbon stabilization in soils.

CACTUS provides AI-powered cheminformatics for autonomous science.

Harilal, a physicist at PNNL and a Jedi in laser-produced plasma applications, has been named a member of the Institute of Electrical and Electronics Engineers Class of 2025 fellows.

For 50 years, the NNSA and its predecessor DOE organizations have stewarded the resources and capabilities to respond to nuclear and radiological emergencies in the United States and around the world.

PNNL’s year in review includes highlights ranging from advancing soil science to understanding Earth systems, expanding electricity transmission, detecting fentanyl, and applying artificial intelligence to aid scientific discovery.