A closed-loop workflow brings together digital and physical frameworks to advance high-throughput experimentation on redox-active molecules in flow batteries.

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.

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

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.

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.

ThermalTracker-3D can help streamline permitting, reduce costs, and shorten development time of energy projects.

PermitAI’s newly released dataset, NEPATEC 2.0, captures and curates environmental review data for faster, better federal permitting.

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.

Big energy storage science is brewing at GSL just one year after its groundbreaking.

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.

Paul Humble and Huidong Li honored as Distinguished Inventors of Battelle for earning 14+ U.S. patents through their work at PNNL.

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.

The Department of Energy Art of Science contest entry focuses on the extraordinary universe of chemical bond making and breaking under irradiation.