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.

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

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.

A cross-institutional team of scientists developed PeakQC, a new software tool for automated quality control of mass spectrometry data.

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.

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.

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

A team of researchers from Pacific Northwest National Laboratory and the Environmental Molecular Sciences Laboratory developed a new and flexible software tool called “Advanced Spectra PCA Toolbox.”

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

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.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

PNNL research unlocks key findings needed for potential commercial deployment of carbon mineralization technology.

PNNL researchers comment on the “Adversarial Machine Learning” white paper from the National Institute of Standards and Technology.