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.

The Building and Environment journal named Drgoňa’s co-authored work one of 2022’s best papers.

Staff at PNNL recently completed a report highlighting commercial products enabled through projects funded by the Department of Energy’s Building Technologies Office.

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

The Simple Building Calculator, developed at PNNL, meets a need for a quick, interactive, and economic method to evaluate energy use—and potential savings from efficiency measures—in simple commercial buildings.

The Department of Energy has issued updated energy conservation standards for manufactured homes. The effort to establish the standards, supported by PNNL, is expected to result in a range of benefits for the manufactured housing sector.

PNNL’s Reid Hart and Bing Liu have earned individual Champions of Energy Efficiency in Buildings awards from the American Council for an Energy-Efficient Economy.

PNNL worked with the Department of Energy on the Commercial Packaged Boiler rule, which will help reduce energy use, enhance the environment, and save dollars.

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 will demonstrate how new technologies, innovative approaches and partnering with others can lead to net-zero emissions and decarbonization of operations.

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

Next generation triple-pane windows provide builders with lower cost options and help homeowners conserve energy, reduce noise, and lower home energy bills.