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

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

This PNNL project was the focus of Nune’s talk when he delivered the keynote for the Carbon Capture and Utilization track at the 2nd Annual Baker Hughes Energy Frontiers Summit.

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.

Metabolomics analysis revealed differences in metabolome profiles for two distinct modes of fungal wood decay.

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.

Under Secretary for Science and Innovation at the Department of Energy Geri Richmond visited PNNL.

From energy-efficient buildings to new manufacturing techniques, researchers at PNNL strive for sustainability and a decarbonization.

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

First-of-its-kind genomic catalog lends insight into previously unknown processes at the river’s edge.

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.

Department of Energy, Office of Science Director Asmeret Asefaw Berhe visited PNNL to learn about the Lab’s drive to conduct discovery science, commitment to science for an equitable future, and development of a diversified STEM workforce.

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

A new method to convert waste plastic to fuel and raw materials promises to help close the carbon cycle at mild temperature and with high yield.

PNNL scientists carve a path to profit from carbon capture by creating a system that efficiently captures CO2 and converts it into one of the world’s most widely used chemicals: methanol.

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

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.