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

Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.

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.

Beyond melting ice and higher temperatures: On Earth Day, scientists consider how climate change will affect national security.

Data reveals mechanisms in our bodies that can help us fight viral pathogenesis.

As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems.

New apps help researchers with statistical analyses of data.

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.

PNNL is supporting the Department of Homeland Security Science and Technology Directorate's Chemical Security Analysis Center in improving capabilities to enhance detection and analysis of chemical threats.

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.

A new report highlights the results of an assessment PNNL conducted of field-portable detection products used by first responders to detect illicit substances like fentanyl in the field.

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

Scientists have learned more about how drug resistance develops in patients with acute myeloid leukemia and how the process might be slowed.

Spatial proteomics enables researchers to link protein measurements to features in the image of a tissue sample, which are lost using standard approaches.

The 50th anniversary of the Finnish Institute for Verification of the Chemical Weapons Convention was recently celebrated in Helsinki, Finland. PNNL's Jonathan Forman and Raul Aranzazu attended this international event.

The new PTM-Psi workflow opens the door for uncovering molecular insights within proteomics datasets.

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.