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.

Scott Whalen, a chief scientist in the Applied Materials and Manufacturing group at PNNL, has been named 2023 PNNL Inventor of the Year

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

Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.

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

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.

Americans produce enough waste every year to replace up to a quarter of the country’s jet fuel with sustainable alternatives, new research shows.

PNNL electrical engineer Samrat Acharya led a team that earned the 2024 IEEE Innovative Smart Grid Technologies Conference Best Paper Award.

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

The next-generation ShAPE machine has arrived at PNNL, where it will help prove the mettle of the ShAPE extrusion technique. ShAPE 2 is designed to allow researchers to produce larger, more complex extrusions.

The SHASTA program is doing a deep dive on subsurface hydrogen storage in underground caverns, helping to lay the foundation for a robust hydrogen economy.

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.

Researchers at PNNL have developed a new technique to get a high-resolution look at how—and why—corrosion happens.

In 2006, battery research was practically non-existent at PNNL. Today, the lab is lauded for its battery research. How did PNNL go from a new player to a leader in state-of-the-art storage for EVs and the grid?

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.

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.

Models have identified a new source of anthropogenic emissions driving the observed weakening of the Atlantic Meridional Overturning Circulation.

A new report highlights the results of an assessment PNNL conducted of field-portable detection products used by first responders to detect illicit substances like fentanyl in the field.