PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

Xantheas awarded a visiting fellowship from the International Center for Advanced Studies of Energy Conversion in Germany.

Structural changes in heavy water occur at different temperatures than in standard water.

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

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

A comprehensive understanding of the electronic structure of uranyl ions provides insight into the chemistry of nuclear waste and uranium separation technologies.

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

Scott Chambers creates layered structures of thin metal oxide films and studies their properties, creating materials not found in nature. He will soon move his instrumentation and research to the new Energy Sciences Center.

PNNL physicist Bruce Kay, global leader in supercooled water research, prepares for move to Energy Sciences Center.

New study elucidates the complex relaxation kinetics of supercooled water using a pulsed laser heating technique at previously inaccessible temperatures.

Spectroscopic experiments reveal significant variations in the electronic structures of actinide tetrafluorides despite their nearly identical crystal structures.

The DOE Early Career Research Program supports exceptional researchers during the crucial early years of their careers and helps advance scientific discovery in fundamental sciences

A new study connects microscopic molecular-level descriptions with properties of a liquid at the macroscopic scale.

By combining state-of-the-art computational and experimental approaches, researchers have begun to resolve the effects of solvent molecules on electron transfer.

Combining transition state theory with Marcus theory provides insight into the fundamental processes of proton transfer in water.

As he prepares to enter PNNL's Energy Sciences Center later this year, Vijayakumar 'Vijay' Murugesan is among DOE leaders exploring solutions to design and build transformative materials for batteries of the future.

New 140,000-square-foot facility will advance fundamental chemistry and materials science for higher-performing, cost-effective catalysts and batteries, and other energy efficiency technologies.

Former PNNL intern Michael Hewitt was recognized by DOE as an Outstanding Intern for the research he performed alongside PNNL physical chemist Dr. Grant Johnson.

PNNL-developed Water Balance Tool estimates consumption for major water end-uses. Understanding the breakout of water use identifies water efficiency opportunities and allows facility managers to spot potential system losses.

Buildings account for around 40 percent of our nation's energy use and consume 75 percent of our nation’s electricity each year. Energy use is also one of the biggest costs for facility owners.