A team of researchers from Pacific Northwest National Laboratory and the Environmental Molecular Sciences Laboratory developed a new and flexible software tool called “Advanced Spectra PCA Toolbox.”

Machine learning methods and data science can uncover hidden patterns in nanoparticle synthesis conditions and property outcomes.

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.

Data-driven autonomous technology to rapidly design and deliver antiviral interventions targeting SARS-CoV-2 to reduce drug discovery timeline and advance bio preparedness capabilities.

The work by the team at PNNL takes a critical step in leveraging ML to accelerate advanced manufacturing R&D, specifically for manufacturing techniques without access to efficient, first-principles simulations.

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 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.

Different sized helium cavities that form after ion irradiation are unevenly distributed in a ductile-phase toughened tungsten composite.

Newly determined energy transfer mechanisms help identify how water releases from and damages irradiated interfaces.

Developing an understanding of how water breaks apart after radiation exposure.

A multi-institutional team has developed a deep learning framework to identify novel molecules as drug candidates.