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.

ThermalTracker-3D can help streamline permitting, reduce costs, and shorten development time of energy projects.

The first direct molecular-scale evidence of the temperature-driven transformation of the coordination environment of ytterbium at geologically relevant conditions.

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.

Expanding the nation’s largest wind power plant time series database; helping grid planners navigate a resilient energy future with better data.

PNNL STEM Ambassadors engage students about salmon migration, hydropower, cybersecurity, water quality, and more at the annual Salmon Summit.

Engineers at PNNL devised a system that allows radar antennae to maintain stable orientation while mounted on platforms in open water that pitch and roll unpredictably. They were recently invited to participate in DOE's I-Corps program.

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.

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

Researchers at PNNL advised elementary and middle school student teams with their problem-solving research for the FIRST® LEGO® League robotics competitions.

Developing a new scheme to more efficiently solve quantum chemistry problems.