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.

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.

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 played host in mid-May to the Artificial Intelligence for Robust Engineering & Science workshop, an annual event that explores advances in artificial intelligence

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.

The software democratizes hardware designs by enabling domain scientists to design their own accelerators.

PNNL recently partnered with Amazon Web Services for AWS GameDay, a gamified learning event that challenges participants to use AWS solutions to solve real-world technical problems in a team-based setting.

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

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

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

Researchers created a methodology to design custom network topologies that improve the execution time for scientific applications.

PNNL’s DataLife tool analyzes and identifies bottlenecks in scientific workflows.

Ripples demonstration will take place at the DOE booth at the International Conference for High Performance Computing, Networking, Storage, and Analysis.