Xantheas was one of four professors in 2021/2022 to be selected by the Göttingen Academy of Sciences and Humanities for this award.

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

A combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.

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.

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

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.

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

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

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

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

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

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.

Parallel graph neural networks identify protein-ligand 3-D structural interactions to aid in protein function prediction and drug discovery.

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.