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.

Thin oxide films play an important role in electronics and energy storage. Researchers in PNNL’s film growth laboratory create, explore, and improve new thin oxide films.

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.

Materials scientist Arun Devaraj is committed to improving the quality and performance of metals with a big assist from atom probe tomography.

Molecular self-assembly expert Chun-Long Chen describes the challenges and opportunities in bio-inspired nanomaterials in a special issue of Chemical Reviews.

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.

Creating films with atomic precision allows researchers moving to the Energy Sciences Center to identify small, but important changes in the materials.

The built-in tools of ants have been imaged in atomic detail for the first time by materials scientist Arun Devaraj.

PNNL materials scientist Dongsheng Li looks forward to using a co-located collection of advanced research equipment in 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

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.

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.

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.