Artificial intelligence may help humans and computers work together to monitor materials that could be used to make weapons.

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

Newly developed models can help rapidly optimize systems to meet the need for rapidly deployable commercial carbon capture.

Combining peptoids and carbon nanotube porins creates a new class of stable membranes with potential applications in separations science.

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

PNNL researchers combined deep operator networks with spectral methods to efficiently and accurately solve complex equations.

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

A new system can convert common plastics into valuable fuel molecules.

A new method to convert waste plastic to fuel and raw materials promises to help close the carbon cycle at mild temperature and with high yield.

The Building and Environment journal named Drgoňa’s co-authored work one of 2022’s best papers.

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

Exploring why some brains are more resilient to the impact of Alzheimer’s disease could lead to improved diagnoses, treatment and prevention.

Wendy Shaw begins an initial two-year term on the Advisory Board of Chemical Society Reviews.

Scientists have taken a key step toward harnessing a form of AI known as deep reinforcement learning to protect computer networks.

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

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.

Radha Kishan Motkuri lends skill and knowledge to co-lead special edition journal.

Johannes Lercher receives award from the North American Catalysis Society and the European Federation of Catalysis Societies.