A new study demonstrates a hybrid model that can simulate part of a system at the molecular scale and other parts at larger scales in a computationally efficient manner, providing greater simulation flexibility.

New research investigating water-lean solvents for carbon dioxide capture identifies the unique chemistry possible with their use, may lead to new design principles that move beyond single carbon capture.

Long-range electron transfer reactions play important roles in many chemical and biochemical processes. A new study demonstrates that a common organic host molecule can behave like an alkali metal in long-range electron transfer reactions.

Twinned nanocrystals have unique physical and chemical properties, a variety of which are detailed by a new study. These findings can help guide future efforts in controlling twinning and detwinning in gold nanoparticles.

IDREAM scientists capture electronic response to ionization.

Practical decontamination of industrial wastewater depends on energy-efficient separations. This study explored using ionic liquids as part of the process, enabling efficient electrochemical separation from aqueous solutions.

New research informs the development of foundational models for computational chemistry through hardware-software co-design.

Tennessee State University received Department of Energy funding to establish an academy focused on preparing students and professionals to work in an emerging field: clean energy systems. PNNL is helping with that effort and others.

Catalysts that efficiently transfer hydrogen for storage in organic hydrogen carriers are key for more sustainable generation and use of hydrogen. New research identifies activity descriptors that can accelerate novel catalyst development.

Researchers at PNNL devised a new workflow for integrating life cycle analysis into building design, aided by a computational method that adapts existing software to net-zero energy, carbon-negative homes.

GUV can reduce transmission of airborne disease while reducing energy use and carbon emissions. But fulfilling that promise depends on having accurate and verifiable performance data.

IDREAM research shows the size of cations in highly concentrated nitrite solutions affects the production of radicals.

The Deep Vadose Zone program leads a treatability study for subsurface remediation of the Hanford Site’s Central Plateau.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

PNNL is supporting the Department of Homeland Security Science and Technology Directorate's Chemical Security Analysis Center in improving capabilities to enhance detection and analysis of chemical threats.

Researchers devised a quantitative and predictive understanding of the cloud chemistry of biomass-burning organic gases helping increase the understanding of wildfires.

Reproducible workflows for binning and visualizing nuclear magnetic resonance spectra from environmental samples.

PNNL researchers use chemometric analysis to model chemistry in molten salt.

In soil, microbes produce and consume methane. Using a technique called pool dilution, researchers can separate the rate of methane production and consumption from the net rate.

PNNL helps deliver efficiency-related rules and requirements that steadily improve performance of America’s buildings, saving energy and costs and reducing carbon emissions.