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

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.

PNNL joint appointee Auroop Ganguly uses data science to study the impacts of climate change.

Launching a premier partnership, PNNL and the University of Texas El Paso (UTEP) signed a memorandum of agreement on UTEP’s campus on October 6.

SEA-CROGS is one of four Mathematical Multifaceted Integrated Capability Centers selected for support by the Department of Energy.

Developing a new understanding of the structure of natrophosphate, a complex mineral found in radioactive tank waste at the Hanford Site, by integrating experimental techniques.

New research makes molecular-level calculations of water faster and easier.

PNNL researchers created a model that helps materials scientists not only predict what is, but what could be.

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

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

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

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.

IDREAM researchers use fast force mapping to provide insights into the boehmite interfacial solution structure.

IDREAM researchers assess the potential of photon-in/photon-out XFEL techniques to explore early time reaction steps and ultimately improve nuclear waste processing strategies.

New PNNL research provides the first direct evidence that amorphous intermediates influence subsequent crystallization outcomes using in situ imaging.

PNNL researchers developed a way to produce accurate simulations of complex physical systems using renormalized approximations across multiple scales

IDREAM study characterizes chemical species and mechanisms that control aluminum salt and mineral crystallization for nuclear waste retrieval, processing.

Hypergraphs can more faithfully identify important genes in complex immune responses.