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.

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.

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.

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.

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.

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.

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

Directionally biased electrostatic interactions are the key to significantly tuning the reduction potential of iron/sulfur clusters.