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.

Using the connected moments mathematical technique decreases the time and computational power needed for performing quantum computing simulations.

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.

Ultra-trace radiation detection technique sets new global standard for measuring the nearly immeasurable.

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.

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

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.

Infusing data science and artificial intelligence into electron microscopy could advance energy storage, quantum information science, and materials design.

Radiation from natural sources in the environment can limit the performance of superconducting quantum bits, known as qubits. The discovery has implications for quantum computing and for the search for dark matter.

A cadre of physical scientists, engineers and computing experts at Pacific Northwest National Laboratory is poised to participate in the launch of three new DOE Office of Science-sponsored quantum information science research centers.