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.

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

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

This study evaluated the sensitivity of multiple geophysical methods to measure and evaluate the spatiotemporal variability of select soil properties across terrestrial–aquatic interfaces.

Researchers integrated field measurements, lab experiments, and model simulations to study oxygen consumption dynamics in soils along a coastal gradient.

This research explores how changes in groundwater levels affect the chemistry of underground water, especially in areas where land meets water, like wetlands.

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 2024 State of the Science Report on environmental effects of marine renewable energy research has been released.

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.

Recycling polyolefin materials is challenging. One waste management strategy is plastic upcycling. New work demonstrates a single-step upcycling route coupling cracking and alkylation, recycling carbon and keeping valuable resources active.

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.

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.

Study explores Exploration of Coastal Hydrobiogeochemistry Across a Network of Gradients and Experiments, a consortium of scientists interested in the exchange between water and land in coastal systems.

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’s Climate Network with MSIs and HBCUs aims to bring opportunities to diverse populations.

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