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

IDREAM scientists capture electronic response to ionization.

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.

IDREAM research shows the size of cations in highly concentrated nitrite solutions affects the production of radicals.

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.

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.

In soil, microbes produce and consume methane. Using a technique called pool dilution, researchers can separate the rate of methane production and consumption from the net rate.

Scientists stop the motion of atoms to watch electrons move in liquid water.

Results of the PR100 study outline near- and short-term strategies for Puerto Rico to achieve a renewable power grid by 2050.

Differences in water interactions lead to two gibbsite dissolution pathways modulated by solution acidity.

Irradiation in a sodium hydroxide solution increases the dissolution rate and particle roughness of gibbsite compared to dry irradiation.

Resolving how nanoparticles come together is important for industry and environmental remediation. New work predicts nanoparticle aggregation behavior across a wide range of scales for the first time.

Input from humans helps when deciding whether to trust the recommendations or decisions of a machine-learning system.

PNNL chemical engineer Reid Peterson helped develop the process to pretreat Hanford Site tank waste by removing cesium-137.

A poem inspired by radioactive tank waste—“Can a Scientist Dream it Alone?”—was awarded first place in the Department of Energy’s Poetry of Science Art Contest.

New research reveals enhanced CO2 transport across a polyether ether ketone membrane and water-lean solvent interface

DOE Basic Energy Sciences 2023 “Poetry of Science Art Contest” aims to educate and inspire; voting for the People’s Choice Award closes September 15.

IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.

Recovery Simulator and Analysis tool further strengthens PNNL’s short-term resilience planning efforts for Puerto Rico.

ExaGO, a power grid simulation and optimization platform developed at PNNL is the first of its kind to run on Frontier.