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ORNL Associate Laboratory Director for Computing and Computational Sciences. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Gina Tourassi, associate laboratory director for computing and computational sciences at the US Department of Energy’s (DOE’s) Oak Ridge National Laboratory, has been named a fellow of the Institute of Electrical and Electronics Engineers, the world’s largest organization for technical professionals.

Conversion of an atomic structure into a graph, where atoms are treating as nodes and interatomic bonds as edges. Credit: Massimiliano “Max” Lupo Pasini/ORNL, U.S. Dept. of Energy

Researchers at the Department of Energy’s Oak Ridge and Lawrence Berkeley National Laboratories are evolving graph neural networks to scale on the nation’s most powerful computational resources, a necessary step in tackling today’s data-centric

ORNL’s Tomás Rush examines a culture as part of his research into the plant-fungus relationship that can help or hinder ecosystem health. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

New computational framework speeds discovery of fungal metabolites, key to plant health and used in drug therapies and for other uses. 
 

Prasanna Balaprakash, who leads ORNL’s AI Initiative, participated in events hosted by the White House Office of Science and Technology Policy and the Task Force on American Innovation to discuss the challenges and opportunities posed by AI. Credit: Brian Mosley/Computing Research Association

In summer 2023, ORNL's Prasanna Balaprakash was invited to speak at a roundtable discussion focused on the importance of academic artificial intelligence research and development hosted by the White House Office of Science and Technology Policy and the U.S. National Science Foundation.

Summit debuted in 2018 at No.1 on the TOP500 list of the world’s most powerful supercomputers with a peak performance of 200 petaflops. Since then, nearly 5,000 users have used Summit to conduct research on climate, energy, public health and national security.

The U.S. Department of Energy’s Oak Ridge Leadership Computing Facility has informed the recipients of high-performance computing time through the SummitPLUS allocation program, which extends the operation of the Summit supercomputer through October 2024. 

Photo by James Wainscoat on Unsplash.

A team of researchers from the University of Southern California, the Renaissance Computing Institute at the University of North Carolina, and Oak Ridge, Lawrence Berkeley and Argonne National Laboratories have received a grant from the U.S. Department of Energy to develop the fundamentals of a computational platform that is fault tolerant, robust to various environmental conditions and adaptive to workloads and resource availability.

A researcher plays checkers against an AI-powered robotic arm in 1984. Credit: ORNL, U.S. Dept. of Energy

Despite its futuristic essence, artificial intelligence has a history that can be traced through several decades, and the ORNL has played a major role. From helping to drive fundamental and applied AI research from the field’s early days focused on expert systems, computer programs that rely on AI, to more recent developments in deep learning, a form of AI that enables machines to make evidence-based decisions, the lab’s AI research spans the spectrum.

The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and produces/suggests new molecules (red) with desired chemical/physical properties (i.e. excitation energy). Image credit: Pilsun You, Jason Smith/ORNL, U.S. DOE

A team of computational scientists at ORNL has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules. 

Image of circuitry representing AI.

Research performed by a team, including scientists from ORNL and Argonne National Laboratory, has resulted in a Best Paper Award at the 19th IEEE International Conference on eScience.

Frontier’s exascale power enables the Simple Cloud-Resolving E3SM Atmosphere Model to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Ben Hillman/Sandia National Laboratories, U.S. Dept. of Energy

A 19-member team of scientists from across the national laboratory complex won the Association for Computing Machinery’s 2023 Gordon Bell Special Prize for Climate Modeling for developing a model that uses the world’s first exascale supercomputer to simulate decades’ worth of cloud formations.