Researchers at PNNL are sharing work grounded in One Health, which connects human, animal, plant, and environmental data to improve situational awareness, early warning, and decision-making.

Scientists uncovered the molecular basis of nitric acid speciation across dilute and concentrated solutions and identified competing hydration-shell rearrangements around lanthanide ions at the dilute limit.

Establishing how electronic redistribution, protonation, and solvent rearrangement are coupled during a proton-coupled electron transfer process.

New software enables the study of nuclear quantum effects in large, condensed phase systems up to 10× faster than traditional methods.

A new report highlights a public workshop hosted by the National Academies Forum on Microbial Threats and features PNNL's Lauren Charles and the AI-Driven One Health Security program.

Integrating new functions into a genome-scale model enabled researchers to simulate and experimentally validate viral hijacking pathways.

Scientists provide a guide for the rational application of continuum descriptions of fluid flows based on interfacial chemistry.

Delivering an integrated quantum-mechanical and experimental perspective on the effects of both intrinsic and externally applied electric fields at atomic-scale interfaces.

Isotopically layered water films and slow heating enable diffusion tracking.

A team combined experiments and theory to predict the collective properties of electrolyte solutions.

The first measurement of the proton diffusion constant at cryogenic temperatures provides insights into the mechanism of proton movement in supercooled water.

A new study led by PNNL researcher TC Chakraborty provides some answers about how irrigated agricultural land near cities affects urban heat stress.

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

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.

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.

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

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

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

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.