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

The Center for Continuum Computing at PNNL aims to integrate cloud platforms, high-performance computing, and edge devices into a seamless ecosystem that accelerates scientific discovery.

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

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 new generation of microelectronics research begins at PNNL.

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

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.

The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months.

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.

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

Complex metal alloys enter a new era of predictive design for aerospace and other high-temperature 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.

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 convergence of artificial intelligence, cloud, and high-performance computing to accelerate scientific discovery is the focus of a multi-year collaboration between Microsoft and PNNL.

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

PNNL has created the Center for AI @PNNL to coordinate the pioneering research of hundreds of scientists working on a range of projects in artificial intelligence.