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

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

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.

Chromium cations better adapt to changes in oxygen stoichiometry than iron cations.

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.

Using interfacial charge transfer to control cation charges in oxide superlattices offers insights for designing functional heterostructures.

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.

Calcium carbonate mineralization occurs through a multi-step process that begins with a dense liquid phase.

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

PNNL researchers co-organized a workshop on fusion commercialization with partners from industry and academia

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

A newly funded project will develop the fundamental understanding of phenomena that underpin material properties important for quantum applications.

Three PNNL-supported projects are at the forefront of developing advanced data analytics technologies to enhance the U.S. power grid’s reliability, resilience, and affordability.

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

PNNL Ocean Engineer James McVey collaborates with U.S. company Noria Energy on floating solar technologies through DOE voucher program.

The Grid Storage Launchpad dedication event was attended by leaders in grid and transportation energy storage, battery innovation, and industry stakeholders working to transform America’s energy system.

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