A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.

CO2 separation is key for natural gas purification, but conventional techniques are high-emission processes. New research reveals a novel, doubly segmented, CO2-selective membrane that increases CO2 permeability and reduces emissions.

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.

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 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.

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.

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.

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

Precipitation with sodium hydroxide in a flow-gel device enables the rapid extraction of magnesium from seawater in a new scalable process.