The first study modeling the mechanism of hydrated electron formation from aqueous iodide.

A suite of experiments provide insight into how diopside reacts with carbon dioxide to form stable carbonate species.

PNNL-Sequim scientists will spend the next year testing a new technology that could allow the ocean to soak up more carbon dioxide without contributing to ocean acidification.

Chemist Grant Johnson offers tips for mentoring a successful internship and creating opportunities for undergraduate students to publish research.

PNNL and University of Texas at El Paso leverage partnership and joint appointment program for a laboratory directed research and development project.

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

Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

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

Xantheas was one of four professors in 2021/2022 to be selected by the Göttingen Academy of Sciences and Humanities for this award.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

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.

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

New research shows that compressing quantum circuits decreases noise and increases the accuracy of quantum calculations.

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

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.