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

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

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.

Artificial intelligence-based decision tool enables grid operators to respond more quickly and effectively to grid emergencies.

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.

Researchers to design their own computer accelerators for faster analysis of large datasets.

OpenCGRA expedites the design-prototype cycle of computer architecture development.

A research project that brings together mathematicians and atmospheric scientists has developed into a deep collaboration for improving atmospheric models.

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.

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

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.

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 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.