PNNL researchers have published their paper, “Introducing Molecular Hypernetworks for Discovery in Multidimensional Metabolomics Data,” in the Journal of Proteome Research.

Researchers can now quantify uncertainty in trained AI models aimed at solving difficult chemistry, biology and materials science problems.

Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing.

Scientists are exploring how web search engine technology might also keep the lights on, the water running and the trains moving.

CACTUS provides AI-powered cheminformatics for autonomous science.

Federal environmental permitting process to be fast-tracked with AI-powered tools and cloud-supported data analysis.

A team of researchers at PNNL is developing a new approach to explore the higher-dimensional shape of cyber systems to identify signatures of adversarial attacks.

The Department of Energy’s Vehicle Technologies Office recognized Livewire’s outstanding teamwork and technical expertise.

Visual Sample Plan, a free software tool developed at PNNL that boosts statistics-based planning, has been recognized with a 2024 Federal Laboratory Consortium Award.

Input from humans helps when deciding whether to trust the recommendations or decisions of a machine-learning system.

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

Tumeo will lead the ChemComp project, which was awarded for Exploratory Research in Extreme Scale Science

PNNL’s software tool brings together artificial intelligence and satellite imagery to help responders assess damage and take action.

Stinis will serve as a principal investigator on two of the four projects selected for funding by the Advanced Scientific Computing Research program.

Researchers unveil user-friendly software to keep complex projects on budget and on schedule.

Summer internship programs with partnering colleges provide pathways for students to explore careers in science, technology, engineering, and math.

The Rapid Assessment of Platform Technologies to Expedite Response project aims to prepare against future pandemics.

The award was given at the 29th International Conference on Information, Communication and Automation Technologies.

Zhijie (Jay) Xu will apply his expertise in multiscale modeling to this editorial role.

PNNL researchers present challenges and opportunities for fusing graph neural networks with deep reinforcement learning.