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.

The first measurement of the proton diffusion constant at cryogenic temperatures provides insights into the mechanism of proton movement in supercooled water.

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

A new study led by PNNL researcher TC Chakraborty provides some answers about how irrigated agricultural land near cities affects urban heat stress.

The low-temperature breakdown of polyolefins is driven by carbenium ions generated from chloroaluminate ionic liquids.

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.

A PNNL team has developed an energy- and chemical-efficient method of separating valuable critical minerals from dissolved solutions of rare earth element magnets.

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

The structure and exposed surfaces of hematite particles affect their growth and dissolution.

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.

Surface manganese mining from nodules in South Dakota is now possible with a new scalable selective precipitation process.

PNNL chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce.

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.

Cobalt substitution for magnesium in a model mafic mineral dramatically slows reaction with carbon dioxide to form a cobalt-doped carbonate.

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.