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.

Researchers at PNNL are asking: how compatible, exactly, is hydrogen fuel with the existing natural gas pipeline network?

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.

This summer, PNNL hosted the inaugural “As Conductive As Copper” (AC2.0) workshop, fostering a collaborative conversation on the future of the U.S. copper supply chain.

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

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.

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.

PDX, PNNL, and Sandia National Laboratories are exploring the feasibility of hydrogen fuel for the PDX bus fleet—an idea that could have novel benefits for hazard resilience.

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.