IDREAM scientists capture electronic response to ionization.

IDREAM research shows the size of cations in highly concentrated nitrite solutions affects the production of radicals.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

Differences in water interactions lead to two gibbsite dissolution pathways modulated by solution acidity.

Irradiation in a sodium hydroxide solution increases the dissolution rate and particle roughness of gibbsite compared to dry irradiation.

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.

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.

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

A new approach broadens the reach of quantum computers to previously challenging systems.

Researchers identified a new intermediate phase that forms during the crystallization of hydrated aluminum-containing salts.

The amount of radiation in a system influences how fast aggregated boehmite particles dissolve.

Simulations show that pH influences boehmite nanoparticle structure and sorption ability.

The size and concentration of ions influences the aggregation behavior of solutions of boehmite.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

PNNL researchers design an artificial intelligence-guided electron microscope in a Laboratory Directed Research and Development study.

Researchers are studying the chemical reactions that occur when oxygen mixes into the surface of oxide materials.

Combining multiple experimental techniques allowed researchers to observe the early stages of oxidation in a model material.

The size of the alkali metal within the material influences the crystallization pathway.

Performing a network analysis of forces between particles reveals new insight into shear induced thinning and thickening in non-Newtonian fluids.