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.

Five PNNL scientists participated in an invitation-only Department of Energy-sponsored workshop on coastal systems. 

Study explores Exploration of Coastal Hydrobiogeochemistry Across a Network of Gradients and Experiments, a consortium of scientists interested in the exchange between water and land in coastal systems.

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.

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.

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

Three scientists at PNNL are lending more than 50 years of expertise to lead efforts to advance the nation’s Blue Economy.

PNNL’s Climate Network with MSIs and HBCUs aims to bring opportunities to diverse populations.

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.

Leaders from the DOE Office of Energy Efficiency and Renewable Energy visited PNNL October 19–20 for a firsthand look at capabilities and research progress.

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

PNNL signs memorandum of understanding with Oregon State University to support marine science and technology advancements.

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.