CACTUS provides AI-powered cheminformatics for autonomous science.

PNNL’s Center for Cloud Computing is addressing challenges in data management and hybrid cloud solutions with industry and academic partnerships.

New datasets delineating global urban land support scientific research, application, and policy, but they can produce different results when applied to the same problem making it difficult for researchers to decide which to use.

A multi-institutional team of researchers systematically compared extraction techniques for characterizing plant litter composition that relies on organic matter extraction.

The demand for energy is growing—and so is the technology supporting it. However, future development of power generation technologies could be affected by a key factor: material supply.

PNNL researchers work with industry partners to transform large language models.

A new database allows researchers to connect lattice parameters and composition in olivine.

New methodology can evaluate the potential for carbon storage and critical mineral recovery in undercharacterized geological settings.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

Research identifies the mechanisms through which peptoids affect ions in solution and a mineral surface, increasing the rate of carbonate crystal growth.

In a recent publication in Nature Communications, a team of researchers presents a mathematical theory to address the challenge of barren plateaus in quantum machine learning.

The Delaware River Basin is projected to experience a regional increase in flood severity under future climate scenarios.

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

Data from SOSAT web tool informs site selection and management for the subsurface injection of captured carbon dioxide.

To improve our ability to “see” into the subsurface, scientists need to understand how different mineral surfaces respond to electrical signals at the molecular scale.

A new approach validates quantum algorithms for low-energy nuclear physics applications

PNNL shared recent developments in artificial intelligence at the inaugural Special Competitive Studies Project AI for National Competitiveness Expo.

New research investigating water-lean solvents for carbon dioxide capture identifies the unique chemistry possible with their use, may lead to new design principles that move beyond single carbon capture.

Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.

PNNL computing experts Robert Rallo and Court Corley contribute their knowledge to a recent DOE report on applications of AI to energy, materials, and the power grid.