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.

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.

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

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.

Researchers isolated a molecular copper hydride monomer for the first time.

A process developed at PNNL that converts biomass and waste into a chemical intermediate or into gasoline, diesel, and jet fuel is available for commercial licensing.

A new simple and scalable synthesis produces nanoparticle assemblies that can perform catalytic hydrogen sensing at room temperature for the first time.

A study that combined experiments and theory showed how model enzymes control challenging reactions involving highly reactive carbocations.

By decreasing the amount of precious metal in a catalyst, the system increased its efficiency and selectivity for breaking apart plastics.

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

The Co-Optimization of Fuels & Engines initiative recently outlined six years of research in a findings and impact report.

Tuning the environment and platinum-group metal allows researchers to control which bonds the catalyst breaks using hydrogen.

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

A comprehensive understanding of the electronic structure of uranyl ions provides insight into the chemistry of nuclear waste and uranium separation technologies.