A suite of new modeling methods gives researchers better tools to predict molecular behavior inside cavities.

Matteo Muratori, director of transportation and industry programs at PNNL, has been named to the 2026–2028 cohort of the National Academies of Sciences, Engineering, and Medicine’s New Voices Program.

A recent article highlighted a PNNL report focused on post-quantum cryptography and electric vehicle charging infrastructure.

Localized gradients in magnetic fields have long-range effects on the concentration of rare earth ions in solution, facilitating field-driven extraction of critical minerals.

Nanosize platelets of an aluminum material slide and join in a staggered orientation to form larger crystals.

In a recent study, PNNL researchers found that noncrystalline mineral surfaces can bind microbial residues to build soil organic matter.

An approach combining multiple theories increases the accuracy of quantum-based simulations without increasing computational demands.

IDREAM researchers uncovered how dimeric complexes control how aluminum hydroxide minerals dissolve.

Hydrogen preferentially inserts at grain boundaries between interconnected chains of palladium nanoparticles, which have a lower energy barrier for hydrogen incorporation into the material.

Scientists provide a guide for the rational application of continuum descriptions of fluid flows based on interfacial chemistry.

PNNL researchers developed a new computational workflow to study day-to-night gene expression dynamics of cyanobacterium in real time.

A new peptoid force field better predicts the cis/trans equilibrium of peptoids in multiple solvents.

Nanoscale domains of magnetically susceptible critical materials encounter enhanced magnetic interactions under external magnetic fields, providing a promising new avenue for separations.

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

Researchers at PNNL are asking: how compatible, exactly, is hydrogen fuel with the existing natural gas pipeline network?

PNNL researchers have found yet another way to turn trash into treasure: using algal biochar, a waste production from hydrothermal liquefaction, as a supplementary material for cement.

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.

Understanding molecular modifications of proteins in the red yeast could help scientists re-engineer the organism’s phenotype.

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

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