Studying single crystal reactions provides molecular-level insight into catalytic processes.

Simulations show an amorphous intermediate that allows impurities to incorporate into crystallizing calcium carbonate.

Researchers from Pacific Northwest National Laboratory created and embedded a physics-informed deep neural network that can learn as it processes data.

A new review describes the insights that may be gained into important electrochemical processes using ion soft landing.

IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.

Varying environmental conditions enabled researchers to quantitatively control the dissolution of metal oxide nanorods.

Across the United States, organic carbon concentration imposes a primary control on river sediment respiration, with additional influences from organic matter chemistry.

A team of researchers at PNNL designed and constructed an atmospheric chamber to simulate the fate of volatile and semivolatile radioisotopes.

Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

Irradiated boehmite nanoplatelets form smaller aggregates and have a rougher surface than non-irradiated platelets.

Water affects the intermediates present on the surface of a metal oxide catalyst during ketonization.

Variations in burn severity are a key control on the chemical constituents of dissolved organic matter delivered to streams within a single burn perimeter.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

Combining peptoids and carbon nanotube porins creates a new class of stable membranes with potential applications in separations science.

A combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.

Hydrogen bonding and proton transfer control the identity and reactivity of molecules in highly concentrated and alkaline aluminate solutions.

A new system can convert common plastics into valuable fuel molecules.

Within zeolite pores, rates of alcohol dehydration increase with ionic strength until reaching a maximum and then decreasing.

Researchers combined crystallographic data and computational studies to investigate plutonium-ligand bonding within a hybrid material construct.