PNNL researchers learn to control peptoid “handedness,” one key to precision drug delivery and diagnostics.

Reaching net-zero carbon emissions goals requires finding transformative paths to manage carbon in difficult-to-electrify economic sectors.

New research informs the development of foundational models for computational chemistry through hardware-software co-design.

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

PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models.

A team of scientists at PNNL developed new computational models to predict the behavior of these impurities and reduce the expense and risk related to actinide metal production.

Converting seawater into hydrogen fuel using electrochemistry offers a renewable energy future for Guam.

Research in the Energy Sciences Center explores how heat changes in chemical reactions, paving the way for more efficient fuels and processes.

Highly precise and controllable single-atom catalysts are affected by reaction conditions, which can alter the bonding around the atoms and the activity.

PNNL scientists are creating new ways to learn more about the vast sea of chemicals that haven't been identified—yet.

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

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

PNNL scientists investigate the promising properties of a common, Earth-abundant salt.

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

PNNL-developed catalytic process and catalyst to upgrade ethanol to sustainable aviation fuel wins American Chemical Society award.

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.

PNNL’s contributions over the last year span scientific discovery, sustainable energy and national security.

A new discovery simultaneously reduces the need for rare and expensive platinum and improves its ability to speed up economically important chemical reactions.