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.

PNNL researchers created a model that helps materials scientists not only predict what is, but what could be.

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

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

PNNL researchers developed a way to produce accurate simulations of complex physical systems using renormalized approximations across multiple scales

Hypergraphs can more faithfully identify important genes in complex immune responses.

New mathematical tools developed at PNNL hold promise to transform the way we operate and defend complex cyber-physical systems, such as the power grid.

PNNL researchers have developed a new class of chemistry focused on carbon capture technology and made incremental strides in driving down costs.

A code comparison study demonstrates a leap in the accuracy and reliability of modeling gas hydrate for the discovery and production of natural gas.

Predictive models indicate cells regulate enzyme activity to maintain liquid center.

Pacific Northwest marsh carbon stocks are twice the global average. Long-term sea-level rise impacts will likely decrease ecosystem carbon stocks.