After isolating copper hydride monomers, researchers identified the mechanistic details of catalyst aggregation and cluster formation.

Scientists have tapped AI and powerful computing to speed up how quickly officials are able to learn important details about nuclear events.

Trace amounts of iron and chromium can incorporate into gibbsite, affecting how the mineral dissolves.

Quantum computing promises leaps in chemistry and materials science, and PNNL is preparing to realize its potential with a collaborative approach.

Christina Lomasney moderates panel on commercialization pathways for emerging artificial intelligence and high-performance computing technologies.

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.

Brown University professor and PNNL joint appointee was honored for his exceptional work in applied mathematics.

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.

PNNL researchers have published their paper, “Introducing Molecular Hypernetworks for Discovery in Multidimensional Metabolomics Data,” in the Journal of Proteome Research.

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

The Center for Continuum Computing at PNNL aims to integrate cloud platforms, high-performance computing, and edge devices into a seamless ecosystem that accelerates scientific discovery.

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

John VerWey, an advisor in the Mission Alignment group at PNNL, has recently been selected to lead a panel discussion at the inaugural Special Competitive Studies Project (SCSP) AI+ Compute & Connectivity Summit.

The Resilience Analysis Specialty Group is part of the Society for Risk Analysis, the premier international society for risk analysis professionals.

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

Formal mathematics both reveals what’s inside the black box of AI algorithms and pushes the boundary of what’s possible within math as a discipline.