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.

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

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

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.

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.

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

Identifying how curvature affects the doping and hydrogen binding energies of carbon-based materials provides a framework for designing hydrogen storage materials.

Now in its twentieth year, the Hydrogen Safety Panel is led by PNNL and includes more than two dozen experts. These experts developed a trusted resource for best practices for hydrogen energy.

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

A team of scientists at PNNL developed new computational models to predict the behavior of these impurities and reduce the expense and risk related to actinide metal production.

Tumeo will lead the ChemComp project, which was awarded for Exploratory Research in Extreme Scale Science

Converting seawater into hydrogen fuel using electrochemistry offers a renewable energy future for Guam.

Robert Rallo from Pacific Northwest National Laboratory will direct a machine learning thrust for a new Department of Energy-funded project led by SLAC National Accelerator Laboratory.

Clean hydrogen energy infrastructure is coming to the Pacific Northwest with a newly announced hydrogen hub, and PNNL experts are advising the work to come.

Less pollution and the odd shapes of snow grains as they pack together should help cut the decline of snowpack later this century.

In a new paper, researchers point to three major efforts where the biggest climate mitigation gains stand to be realized: ramping up carbon dioxide removal, reigning in non-carbon dioxide emissions and halting deforestation.