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.

The 2024 Jack Simons Award honor recognizes Li for his expertise in integrating chemistry with computing for fundamental science research.

PNNL researchers learn to control peptoid “handedness,” one key to precision drug delivery and diagnostics.

Data scientist at PNNL receives the Environmental and Engineering Geophysical Society and Geonics Limited Early Career Award for work with geophysical modeling and subsurface inversion codes.

Reaching net-zero carbon emissions goals requires finding transformative paths to manage carbon in difficult-to-electrify economic sectors.

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

Beyond melting ice and higher temperatures: On Earth Day, scientists consider how climate change will affect national security.

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.

As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems.

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.

The 98th ACS Colloid and Surface Science Symposium will be co-organized by Shuai Zhang and Jim De Yoreo.

Chemists Wilma Rishko and Samantha Johnson are set to receive an ACS Division of Inorganic Chemistry Award for Undergraduate Research as a mentor-mentee pair.

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.

With the help of the U.S. State Department, PNNL climate scientists assisted counterparts in Malaysia and Thailand in exploring carbon neutral goals.

PNNL’s Center for the Remediation of Complex Sites convened attendees from around the world to discuss challenges associated with environmental contamination.

A paper co-authored by four PNNL-affiliated scientists has been awarded the 2023 UCAR Outstanding Accomplishment Award for Publication.

Researchers at PNNL joined more than 600 national experts who contributed to NCA5.

If current warming trends continue, heat waves like Washington's deadliest could grow stronger and afflict the Pacific Northwest more often.

PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models.