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

The ChemSpace Tool, when fully developed, is intended to divide chemical space into three subsets: the detectable space, the identifiable space, and the region that includes compounds that are not detectable or identifiable.

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.

Microbes that were previously frozen in soils are becoming more active. This study demonstrates the diverse RNA viral communities found in thawed permafrost.

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.

To thwart pathogens, researchers in the epidemiology field of infectious disease (ID) prediction are continuously trying to forecast when, where, and how an ID event will occur.

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.

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.

IDREAM researchers show that high concentrations of sodium hydroxide significantly impact the molecular and macroscale properties of sodium nitrite solutions.

Researchers in the IDREAM Energy Frontier Research Center unearth new defects during gibbsite crystallization using a multi-instrument approach.

Quantum simulators help navigate noise on GPU-based HPC systems.