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

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.

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.

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.

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.

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.

New IDREAM research explores the effects of electrolyte species on boehmite nanoparticle aggregation in legacy wastes.