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.

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

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.

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.

Senior Advisor Isabella van Rooyen shares her journey from child to internationally recognized scientist in nuclear materials and manufacturing.

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

From energy storage to cybersecurity, this 2023 wrap-up offers a glimpse of PNNL innovations with a seasonal twist.

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.

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