PNNL and University of Texas at El Paso leverage partnership and joint appointment program for a laboratory directed research and development project.

Scientists have taken an important step forward in predicting who will develop Type 1 diabetes months before symptoms appear.

Joshua Adkins and Jamie Lo will lead PMedIC, Pacific Northwest National Laboratory and Oregon Health & Science University’s joint research institute.

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

Metabolomics analysis revealed differences in metabolome profiles for two distinct modes of fungal wood decay.

Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

PNNL chemist Christopher Anderton recently named president-elect of the Imaging Mass Spectrometry Society (IMSS). In this new position, he will help lead the merge of IMSS with a European-based society, currently underway.

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

Xantheas was one of four professors in 2021/2022 to be selected by the Göttingen Academy of Sciences and Humanities for this award.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

Data-driven autonomous technology to rapidly design and deliver antiviral interventions targeting SARS-CoV-2 to reduce drug discovery timeline and advance bio preparedness capabilities.

Advanced proteomic analysis tools dig deep into human blood plasma to understand the molecular nature of advanced alcoholic disease.

A detailed snapshot of proteins by PNNL scientists marks a big step toward a diagnostic blood test for a deadly form of liver disease.

New research makes molecular-level calculations of water faster and easier.

New research shows that compressing quantum circuits decreases noise and increases the accuracy of quantum calculations.

Tiffany Kaspar’s work has advanced the discovery and understanding of oxide materials, helping develop electronics, quantum computing, and energy production. She strives to communicate her science to the public.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

Xantheas awarded a visiting fellowship from the International Center for Advanced Studies of Energy Conversion in Germany.

Structural changes in heavy water occur at different temperatures than in standard water.

The size of the alkali metal within the material influences the crystallization pathway.