A new flow battery design achieves long life and capacity for grid energy storage from renewable fuels.

PNNL scientists are creating new ways to learn more about the vast sea of chemicals that haven't been identified—yet.

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

Researchers created the first open-source database of exotic materials eyed for use in quantum applications.

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.

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.

A combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.

A new sodium battery technology shows promise for helping integrate renewable energy into the electric grid. The battery uses Earth-abundant raw materials such as aluminum and sodium.

A new approach broadens the reach of quantum computers to previously challenging systems.

PNNL gathered researchers from eight national laboratories plus the U.S. Department of Energy (DOE) to share ideas and build synergy at the Energy Equity and Environmental Justice Summit.

EGRASS helps prepare and fortify critical structures to protect against the worst consequences of new hurricanes.

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

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

PNNL researchers developed a new model to help power system operators and planners better evaluate how grid-forming, inverter-based resources could affect the system stability.

Parallel graph neural networks identify protein-ligand 3-D structural interactions to aid in protein function prediction and drug discovery.

New facility will accelerate energy storage innovation, increase clean energy adoption and grid resilience.

Scientists have created a battery designed for the electric grid that locks in energy for months without losing much storage capacity.

IDREAM researchers use fast force mapping to provide insights into the boehmite interfacial solution structure.