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.

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

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.

Scientists have tapped AI and powerful computing to speed up how quickly officials are able to learn important details about nuclear events.

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

Quantum computing promises leaps in chemistry and materials science, and PNNL is preparing to realize its potential with a collaborative approach.

High-resolution hydrodynamic-sediment modeling shows that inundation, suspended sediment concentration in the Amazon River, and floodplain hydrodynamics drive sediment deposition in Amazonian floodplains.

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

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.

To assess the impact of observation period and gauge location, model parameters were learned on scenarios using different chunks of streamflow observations.

PNNL scientist James Stegen and an international team of collaborators recently published a comprehensive review of variably inundated ecosystems (VIEs).

Properly identifying iodoplumbate species that are present and stable in a perovskite precursor solution is vital. New research offers insight into reactivity and dynamical processes in solution and the chemical properties of precursors.

This study presents an automated method to detect and classify open- and closed-cell mesoscale cellular convection (MCC) using long-term ground-based radar observations.

A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.

Scientists are reviewing the current science of the mechanism and structural dynamics of methyl coenzyme-M reductase, an enzyme involved in biological methane conversion.

A team combined experiments and theory to predict the collective properties of electrolyte solutions.

Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.