Developing a new scheme to more efficiently solve quantum chemistry problems.

Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.

A team from PNNL contributed several articles to the Domestic Preparedness Journal showcasing recent efforts to explore the emergency management and artificial intelligence research and development landscape.

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

Molecular simulations highlight the key interactions between mineral surfaces and organic matter that lead to carbon stabilization in soils.

CACTUS provides AI-powered cheminformatics for autonomous science.

A team of researchers recently coordinated a series of international workshops aimed at enhancing chemical research security and fostering collaboration among scientists and academic researchers from both countries.

New IDREAM research explores the effects of electrolyte species on boehmite nanoparticle aggregation in legacy wastes.

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

Klickitat Valley Health's fuel cell and microgrid project boosts rural healthcare, enhancing energy resilience and sustainability for social equity.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

Over the past three years, PNNL’s Know Your Collaborator (KYC) workshop series has engaged hundreds of academic partners and institutional researchers internationally on the topic of research security.

Proton shuffling in hydrated nicotine at low temperatures occurs via a Grotthuss mechanism, identified through experimental and computational work.

PNNL researchers studied the microstructure of lithium silicates under emulated fusion conditions.

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

The atomic-level distribution of nickel and cobalt in forsterite depends on the concentration of the different elements.

Data from SOSAT web tool informs site selection and management for the subsurface injection of captured carbon dioxide.

Erich Hsieh, Deputy Assistant Secretary for OE’s Energy Storage Division, shared insights about the Grid Storage Launchpad and energy storage innovations .

To improve our ability to “see” into the subsurface, scientists need to understand how different mineral surfaces respond to electrical signals at the molecular scale.