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.

Stakeholders convened at PNNL to build a shared understanding of energy storage siting, permitting, safety, and local engagement.

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.

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

The Grid Storage Launchpad dedication event was attended by leaders in grid and transportation energy storage, battery innovation, and industry stakeholders working to transform America’s energy system.

Erich Hsieh, Deputy Assistant Secretary for OE’s Energy Storage Division, shared insights about the Grid Storage Launchpad and energy storage innovations .

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 celebrates World Energy Storage Day (September 22) by introducing you to some of our best and brightest in this area.

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.

A new policy database containing energy equity-related actions could serve as a useful starting point for state policymakers and stakeholders who want to enact similar energy equity measures or adapt policies to their local circumstances.

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.