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

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

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.

In a water-containing system, the open circuit potential stabilizes positively charged species and lowers the energy barrier of the reaction.

A review article led by researcher Jade Holliman explores the different classes of metamaterials, from the underlying fundamental science to potential applications.

Researchers developed a machine learning model that can analyze chemical reactions as they happen in an electron microscope.

PNNL researchers are moving energy research forward through collaborative projects with universities across the United States.

Research published in Journal of Manufacturing Processes demonstrates innovative single-step method to manufacture oxide dispersion strengthened copper materials from powder.

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

One year into an Early Career Research Program award, Marcel Baer is developing new workflows to model biologically inspired systems more efficiently.

Tailoring hydrogen-based energy storage solutions to specific real-world applications.

HiSVSIM enables large-scale quantum simulations through graph partitioning.

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

A new deep learning approach allows researchers to rapidly analyze three-dimensional representations of multi-component catalysts.

Where molybdenum dopants sit within catalytic material affects catalysis at a mechanistic level.

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

PNNL research, featured on the cover of two science journals, describes advancements in using Raman spectrometry for Hanford Site nuclear waste remediation.

A new web-based tool provides easy-to-understand progress metrics and other data about groundwater cleanup sites overseen by the DOE Office of Environmental Management.

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.