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.

Over the next four years, PNNL and University of Arizona will develop open-source computational tools to better identify and characterize the viruses associated with the human microbiome.

Armed with some of the world’s most advanced instrumentation, researchers at PNNL are working to analyze huge amounts of data and uncover hidden biological connections.

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

A team from PNNL contributed several articles to the Domestic Preparedness Journal showcasing recent efforts to explore the emergency management and artificial intelligence research and development landscape.

A series of conference panels recently explored how new and evolving technologies can support emergency managers’ responsibilities.

A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success.

CACTUS provides AI-powered cheminformatics for autonomous science.

A team of researchers recently coordinated a series of international workshops aimed at enhancing chemical research security and fostering collaboration among scientists and academic researchers from both countries.

Scientists are using artificial intelligence and powerful computing to sculpt new molecules in an effort to treat disease.

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

Over the past three years, PNNL’s Know Your Collaborator (KYC) workshop series has engaged hundreds of academic partners and institutional researchers internationally on the topic of research security.

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.

Scientists plumbed the depths of nearly 3,000 soil samples from around the globe to compile the heftiest atlas of soil viruses ever created.

International compliance analyst Madalina Man highlighted the history of international safeguards on a podcast by the United Arab Emirates Federal Authority for Nuclear Regulation.

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

Neeraj Kumar discusses how AI can transform scientific research at the Platform for Advanced Scientific Computing Conference and Trillion Parameter Consortium European Workshop.

At the National Homeland Security Conference, researchers shared how partnerships and emerging technologies like artificial intelligence can play a key role in emergency management preparedness and response.