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

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

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

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.

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.

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

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

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.

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

Researchers from PNNL and Parallel Works, Inc., applied machine learning methods to predict how much oxygen and nutrients are used by microorganisms in river sediments.

This study used historical data, remote sensing, and aquatic sensors to measure how far wildfire impacts propagated through the watershed after the 2022 Hermit’s Peak/Calf Canyon fire, New Mexico’s largest wildfire in history.

The Coastal Observations, Mechanisms, and Predictions Across Systems and Scales: Field, Measurements, and Experiments project established a network of observational field sites across Chesapeake Bay and western Lake Erie.

Isotopically layered water films and slow heating enable diffusion tracking.

Matt Fayette, a materials scientist, is testing a new method to extend battery life for grid storage by circulating the electrolyte.

PNNL's E-COMP initiative is helping unleash American energy innovation with advanced theories, models, and software tools to better operate power systems that rely heavily on high-speed power electronic control.