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.

Researchers combined crystallographic data and computational studies to investigate plutonium-ligand bonding within a hybrid material construct.

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.

Harnessing the sea for decarbonized energy is the focus of a new collaboration between PNNL and the University of Guam.

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

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

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

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

The nature of an iron oxide mineral and amount of light control electron movement from a light-absorbing molecule to the mineral, rather than the conditions of the surrounding aqueous environment.

As leaders in AI and machine learning, PNNL experts are sharing their latest findings at the 36th annual Neural Information Processing Systems (NeurIPS) Conference, Nov. 28–Dec. 9, 2022.

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

A new project will produce a database of optimized conditions for efficient, carbon negative recovery of energy-relevant minerals in red mud waste.

Data-driven experiments can help determine best practices for Random Forest machine learning to predict water quality, particularly nitrate levels.

A review article examines a decade of work on the atom-scale process of turning carbon dioxide into stable minerals.

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

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

Using electrocatalysis offers a different path for reactions involving polar groups.

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

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