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.

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

New apps help researchers with statistical analyses of data.

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.

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.

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.

A team of researchers from PNNL provided technical knowledge and support to test a suite of techniques that detect genetically modified bacteria, viruses, and cells.

PNNL researchers are key contributors to GAO report

Highly precise and controllable single-atom catalysts are affected by reaction conditions, which can alter the bonding around the atoms and the activity.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

Newly developed models can help rapidly optimize systems to meet the need for rapidly deployable commercial carbon capture.

PNNL researchers combined deep operator networks with spectral methods to efficiently and accurately solve complex equations.

A process developed at PNNL that converts biomass and waste into a chemical intermediate or into gasoline, diesel, and jet fuel is available for commercial licensing.

The Co-Optimization of Fuels & Engines initiative recently outlined six years of research in a findings and impact report.

Tuning the environment and platinum-group metal allows researchers to control which bonds the catalyst breaks using hydrogen.