A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

Samantha Erwin was one of six speakers during the Careers Using Mathematics panel at the Nebraska Conference for Undergraduate Women in Mathematics.

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.

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

Scientists are pioneering approaches in the branch of artificial intelligence known as machine learning to design and train computer software programs that guide the development of new manufacturing processes.

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.

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

New research shows that compressing quantum circuits decreases noise and increases the accuracy of quantum calculations.

Tiffany Kaspar’s work has advanced the discovery and understanding of oxide materials, helping develop electronics, quantum computing, and energy production. She strives to communicate her science to the public.

Business, industry, and government careers were a focus of the PNNL-led Mathematics Research Communities conference.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

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

Xantheas awarded a visiting fellowship from the International Center for Advanced Studies of Energy Conversion in Germany.

PNNL mathematicians and data scientists had a strong presence at the 2022 Joint Mathematics Meetings as event organizers and speakers.

Structural changes in heavy water occur at different temperatures than in standard water.

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

PNNL's Tegan Emerson was invited to be one of two plenary speakers at the inaugural AIM 2022 congress. The Minerals, Metals & Materials Society organized AIM 2022 to connect materials and manufacturing researchers from around the world.

Chatterjee will lead a multi-laboratory effort on analytic development within CISA’s Risk Architecture Lab Performers Council.

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