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

Chemical engineer Yuan Jiang is now an executive editor at Gas Science and Engineering, a cross-disciplinary journal centered on natural gases.

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

Jeff Burghardt is the chair of the technical program for the 59th US Rock Mechanics/Geomechanics Symposium of the American Rock Mechanics Association.

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.

Researchers at PNNL are pursuing new approaches to understand, predict and control the phenome—the collection of biological traits within an organism shaped by its genes and interactions with the environment.

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

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.

Geochemist Kevin Rosso earns the highest scientific and leadership honor bestowed by PNNL.

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.

Led by interns from multiple DOE programs, a newly expanded dataset allows researchers to use easy-to-obtain measurements to determine the elemental composition of a promising carbon storage mineral.

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.

A multi-institutional team of researchers systematically compared extraction techniques for characterizing plant litter composition that relies on organic matter extraction.

New IDREAM research explores the effects of electrolyte species on boehmite nanoparticle aggregation in legacy wastes.