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

Andrew White goes back to his alma mater, Georgia Tech, as young alumni keynote speaker for the Sustainability Showcase, part of the university’s larger Sustainable Development Goals Action & Awareness Week.

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.

PNNL computing experts Robert Rallo and Court Corley contribute their knowledge to a recent DOE report on applications of AI to energy, materials, and the power grid.

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.

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.

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.

Researchers from PNNL have been assessing installation and use of electric heat pumps in an Alaskan community that relies on fuel oil for heat. The resulting information could advance electrification in cold rural areas across the nation.

PNNL researchers are working to provide the technical assistance and expertise needed for communities to shape their clean energy future.

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.

A new iron-based aqueous flow battery shows promise for grid energy storage applications.

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.

ChatGrid™ is a practical application of the Department of Energy’s exascale computing efforts and offers a new experience in easy, intuitive, and interactive data interaction.