IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.

PNNL’s extensive portfolio of buildings-grid research included three projects that helped answer some of the technical questions related to leveraging energy consumption in buildings to enhance grid operations.

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.

The Northwest Connected Communities Summit brought together representatives of five Department of Energy-funded Connected Communities Projects to share ideas and discuss potential collaboration opportunities.

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.

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

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.

Research organizations work toward compelling market-ready solutions for building operations.

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.

The PNNL-developed Eclipse VOLTTRON™ software platform continues to support new applications in energy efficiency and clean energy.

PNNL will provide technical resources and support to a national coalition of states and cities focused on implementing building performance standards to improve energy efficiency and reduce carbon emissions.

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

Researchers achieved the complete assignment of the infrared spectrum of a hydronium-water “magic number” cluster reported in Science in 2004.

A team of researchers developed a simulation approach to identify how atomic structures can affect the phonon transport of energy and information in quantum systems near absolute zero temperatures.