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 Department of Energy Office of Nuclear Energy acting assistant secretary makes his first visit to a national laboratory in his new role, touring PNNL's Radiochemical Processing Laboratory.

PNNL researchers review ceramic-metal composite technology for immobilizing radioactive wastes from nuclear reactors, including advanced reactors.

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.

Reaching net-zero carbon emissions goals requires finding transformative paths to manage carbon in difficult-to-electrify economic sectors.

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

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

Catalysts that efficiently transfer hydrogen for storage in organic hydrogen carriers are key for more sustainable generation and use of hydrogen. New research identifies activity descriptors that can accelerate novel catalyst development.

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 2006, battery research was practically non-existent at PNNL. Today, the lab is lauded for its battery research. How did PNNL go from a new player to a leader in state-of-the-art storage for EVs and the grid?

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.

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.

Department of Energy presented six teams from PNNL with the Secretary's Honor Award.

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

PNNL researchers use chemometric analysis to model chemistry in molten salt.

Harish Gadey, David Peeler, and Tom Brouns named to Waste Management Symposia Program Advisory Committee positions to help develop radioactive waste management discussions.