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

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.

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.

Distributed science is thriving at PNNL, where scientists share data and collaborate with researchers around the world to increase the impact of the work.

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.

The ability of a storm-resolving weather model to predict the growth of storms over central Argentina was evaluated with data from the Clouds, Aerosols, and Complex Terrain Interactions (CACTI) field campaign in central Argentina.

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

Researchers have developed the first coastal transport model for microplastics to understand how particles move in waterways and coastal currents.

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

Atmospheric aerosol particles modulate climate and the Earth’s energy balance by scattering and absorbing sunlight. They also seed clouds, acting as cloud condensation nuclei.

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.

Lakes are important sentinels of climate change and contribute significantly to the emissions of the second most important greenhouse gas—methane.

The rate of conversion of cloud droplets to precipitation, known as the autoconversion rate, remains a major source of uncertainty in characterizing aerosol’s cloud lifetime effects and precipitation in global and regional models.

Extensive in situ and remote sensing measurements were collected to address data gaps and better understand the interactions of convective clouds and the surrounding environment.