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

With quantum chemistry, researchers led by PNNL computational scientist Simone Raugei are discovering how enzymes such as nitrogenase serve as natural catalysts that efficiently break apart molecular bonds to control energy and matter.

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.

PNNL highlights four researchers whose joint appointments are creating new and diverse opportunities for expanding knowledge and scientific impact across institutions.

George Karniadakis receives award highlighting 30 years of work developing computational methods to solve real-world problems.

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.

Connected moments math shortcut shaves time and cost of quantum calculations while maintaining accuracy.

A new review paper led by senior research scientist Chun-Long Chen and featured on the cover of Accounts of Chemical Research summarizes advances by PNNL scientists in developing sequence-defined peptoids.

The workshop brought together 184 scientists to explore research opportunities for nuclear physics in artificial intelligence.

Despite the challenges, the talented and dedicated staff at Pacific Northwest National Laboratory kept delivering for the nation.

Beginning in 2021, PNNL chemical physicist Bruce Kay begins a three-year term as an AVS trustee, part of a six-member committee responsible for overseeing the administration of student scholarships and major society awards.

Using public data from the entire 1,500-square-mile Los Angeles metropolitan area, PNNL researchers reduced the time needed to create a traffic congestion model by an order of magnitude, from hours to minutes.

PNNL researchers have shown an improved binarized neural network can deliver a low-cost and low-energy computation to help the performance of smart devices and the power grid.

PNNL and Microsoft Quantum partner to link quantum circuits to powerful government supercomputers.

Pacific Northwest National Laboratory researchers developed a graphical processing unit (GPU)-centered quantum computer simulator that can be 10 times faster than any other quantum computer simulator.