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.

Matt Fayette, a materials scientist, is testing a new method to extend battery life for grid storage by circulating the electrolyte.

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.

CESER and PNNL convened a three-day summit with more than 100 state officials, cybersecurity experts, and industry leaders across 35 states to advance energy security planning, cyber risk assessment, and fortify protections against attacks.

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.

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

Ampcera has an exclusive licensing agreement with PNNL to commercially develop and license a new battery material for applications such as vehicles and personal electronics.

Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.

Funded by DOE’s Office of Electricity, the GSL at PNNL has been recognized by BCI for accelerating the deployment of grid-ready storage solutions.

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

Molecular simulations highlight the key interactions between mineral surfaces and organic matter that lead to carbon stabilization in soils.

CACTUS provides AI-powered cheminformatics for autonomous science.

EZBattery Model allows energy storage researchers to more quickly and easily identify the best performing battery designs without the need for extensive physical prototyping or computationally expensive simulations.