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.

Seaweed could be a new source of critical minerals for electronics, vehicles, and buildings.

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.

This research helps predict how coastal forests will respond to future sea level changes which is crucial for protecting these ecosystems.

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.

Due to their inherent variability and complexity over space and time, scientists are challenged to understand the complex interactions among soil, vegetation, and water along coastal terrestrial-aquatic interfaces.

This study characterized above- and below-ground properties to explore the spatial heterogeneity of the terrestrial aquatic interface ecosystem within the Chesapeake Bay area and evaluate the major drivers of soil respiration.

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.

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.

Under an optical field, nanoparticle attachment in a model system heavily depends on surface roughness.