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.

A new quantum algorithm speeds up simulations of coupled oscillator dynamics.

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

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.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

The 98th ACS Colloid and Surface Science Symposium will be co-organized by Shuai Zhang and Jim De Yoreo.

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

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.

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.

Newly developed ultra-low radiation cables reduce background noise for neutrino and dark matter detectors.

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.

Through collaboration with the Department of Homeland Security Soft Target Engineering to Neutralize the Threat Reality Center of Excellence, PNNL is advancing research and development of tools and methodologies to protect crowded places.

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.

The papers were featured in the security and quantum sessions at the 2023 International Symposium on Computer Architecture.