As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems.

The use of disciplines in pure mathematics can increase the reliability and explainability of machine learning models that “transcend human intuition,” according to PNNL scientists.

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

Scientists are pioneering approaches in the branch of artificial intelligence known as machine learning to design and train computer software programs that guide the development of new manufacturing processes.

A new testbed facility capable of testing superconducting qubit fidelity in a controlled environment free of stray background radiation will benefit quantum information sciences and the development of quantum computing.

Tiffany Kaspar’s work has advanced the discovery and understanding of oxide materials, helping develop electronics, quantum computing, and energy production. She strives to communicate her science to the public.

Focused research studies of advanced algorithms and materials are setting the stage for the next generation of quantum computers.

High-performance imaging provides a cornerstone for innovation at the Energy Sciences Center opening at PNNL.

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.

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

Risk analysis on the plutonium-fueled power system that supplies electricity to the Mars rover answered the “what if” nuclear safety questions for NASA.

Marcel Baer is a computational scientist working in PNNL’s Physical Sciences Division with a prominent effort in materials science and physical bioscience.

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.

High school students from across Washington State competed in the Pacific Northwest Regional Science Bowl, hosted online by PNNL, for a chance to advance to the national competition in May.

Johnson is among the PNNL scientists preparing to move into the Energy Sciences Center, the new $90 million, 140,000-square-foot facility that is expected to open in late 2021.

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.

PNNL scientists joined international leaders in artificial intelligence research to discuss the latest advances, opportunities, and challenges for neural information processing—the foundation for AI.

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

Special issue highlights PNNL contributions to NWChem and CP2K, two prominent software packages for computational chemistry.

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