Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

ExaGO, a power grid simulation and optimization platform developed at PNNL is the first of its kind to run on Frontier.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

Vrabie co-organized the 2022 Workshop on Artificial Intelligence for Isotope R&D and Production for the Department of Energy Isotope Program.

Newly developed models can help rapidly optimize systems to meet the need for rapidly deployable commercial carbon capture.

A review article led by researcher Jade Holliman explores the different classes of metamaterials, from the underlying fundamental science to potential applications.

Iron-based fertilizer may stimulate plankton to pull carbon dioxide from the ocean, driving a carbon-negative process.

A new project will produce a database of optimized conditions for efficient, carbon negative recovery of energy-relevant minerals in red mud waste.

A review article examines a decade of work on the atom-scale process of turning carbon dioxide into stable minerals.

Some rocks can potentially convert injected carbon dioxide into more stable solid minerals. A new review article explores what scientists know about the atom-by-atom process.

The IAC will advise the Secretary of Commerce on the science and technology needs of the microelectronics industry.

New research makes molecular-level calculations of water faster and easier.

Updated flexible software generates and optimizes monitoring programs for detecting potential leaks from geological carbon storage with an enhanced user experience.

Business, industry, and government careers were a focus of the PNNL-led Mathematics Research Communities conference.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

A new perspective article discusses how integrating carbon dioxide capture and conversion in solvents can lead to cheaper and more efficient carbon management systems.

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

Quantum simulators help navigate noise on GPU-based HPC systems.

PNNL Chief Scientist for Computing Jim Ang will be part of a DOE Office of Science virtual discussion regarding industry collaborations on AI hardware.

Four research staff from PNNL are part of an international team that earned top honors for a journal paper focused on a new algorithm-evaluation approach for buildings.