Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

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.

A streamlined informatics workflow that automatically processes complex data and provides the locations of double bonds in lipids.

Hi-C metagenomics-informed phage-host infection networks detected in soil pre- and post-drying.

The first study modeling the mechanism of hydrated electron formation from aqueous iodide.

This study profiled the 24-hour rhythmicity in bile salt hydrolase enzyme activity using simple fluorescence assay and the results showed that this rhythmicity is influenced by feeding patterns of the host.

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

New research from PNNL and Washington State University collaborators connects the microbiome in the gut to circadian rhythms, suggesting a role for the microbiome as an internal regulator.

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.

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

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

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.

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

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.

Data from increasingly complex mass spectrometry instruments met with adaptable data analysis solution.

Study highlights microbiome’s role in regulating xenobiotic metabolism.