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.

A low-temperature, single-stage catalytic process converts PVC and polyolefin into valuable alkanes.

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

A team independently verified solid-state plutonium signal in nuclear magnetic resonance spectroscopy and acquired new fundamental insights of the physics and chemistry of plutonium dioxide.

From developing new energy storage materials to revealing patterns of Earth’s complex systems, studies led by PNNL researchers are recognized for their innovation and influence.

Ice crystals are surprisingly tolerant of defects in their structure. The findings come from the first-ever molecular-resolution observations of nanoscale samples of ice frozen from liquid water.

A comprehensive investigation provides quantitative data on the interaction between zeolite pores and linear alcohols, with hydroxyl group interactions playing the largest role.

As Laboratory Director Steve Ashby pens his last monthly column, he highlights PNNL’s accomplishments with pride and gratitude.

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.

Soil mineral preferentially incorporates rare earth elements based on size, with implications for critical mineral extraction.

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.

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

The first direct molecular-scale evidence of the temperature-driven transformation of the coordination environment of ytterbium at geologically relevant conditions.

Delivering an integrated quantum-mechanical and experimental perspective on the effects of both intrinsic and externally applied electric fields at atomic-scale interfaces.

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

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