A new approach combining computational processes enables the more accurate simulation of nuclear quantum effects in molecular systems.

David Heldebrant was selected for the 2025 Distinguished Service Award from the American Chemical Society Division of Energy & Fuels, recognizing his impact to energy and fuels chemistry.

This summer, PNNL hosted the inaugural “As Conductive As Copper” (AC2.0) workshop, fostering a collaborative conversation on the future of the U.S. copper supply chain.

Micron and PNNL co-design the Crete computer system, delivering a new memory architecture for data-intensive scientific computing and AI applications.

The size of graphene oxide sheets affects the ability of assembled membranes and adsorbents to separate rare earth elements.

From vehicles and airplanes to solid-phase processing of metals—how Curt Lavender and his team at PNNL solve industry problems with practical ingenuity.

After isolating copper hydride monomers, researchers identified the mechanistic details of catalyst aggregation and cluster formation.

The Low-cost Earth-abundant Na-ion Storage consortium is a major effort to create superior, no-compromise batteries that replace lithium with inexpensive, domestically abundant sodium and use few—if any—critical materials.

Scientists have tapped AI and powerful computing to speed up how quickly officials are able to learn important details about nuclear events.

Trace amounts of iron and chromium can incorporate into gibbsite, affecting how the mineral dissolves.

Quantum computing promises leaps in chemistry and materials science, and PNNL is preparing to realize its potential with a collaborative approach.

Experiments focus on catalysts for off-road vehicles that optimize the use of critical minerals while lasting longer and costing less.

Properly identifying iodoplumbate species that are present and stable in a perovskite precursor solution is vital. New research offers insight into reactivity and dynamical processes in solution and the chemical properties of precursors.

A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.

PNNL researchers received an award from the Materials, Metals & Materials Society (TMS) for a publication on friction riveting.

Scientists are reviewing the current science of the mechanism and structural dynamics of methyl coenzyme-M reductase, an enzyme involved in biological methane conversion.

A team combined experiments and theory to predict the collective properties of electrolyte solutions.

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.