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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 Energy, Exascale and Earth System Model-Multiscale Modeling Framework — or E3SM-MMF — project to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Mark Taylor/Sandia National Laboratories, U.S. Dept. of Energy

The world’s first exascale supercomputer will help scientists peer into the future of global climate change and open a window into weather patterns that could affect the world a generation from now.

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In response to a renewed international interest in molten salt reactors, researchers from the Department of Energy’s Oak Ridge National Laboratory have developed a novel technique to visualize molten salt intrusion in graphite.

The sun sets behind the ORNL Visitor Center in this aerial photo from April 2023. Credit: Kase Clapp/ORNL, U.S. Dept. of Energy

In fiscal year 2023 — Oct. 1–Sept. 30, 2023 — Oak Ridge National Laboratory was awarded more than $8 million in technology maturation funding through the Department of Energy’s Technology Commercialization Fund, or TCF.

ORNL’s organocatalyst deconstructs mixed plastics at different temperatures, which facilitates recovering their individual monomers separately, in reusable form. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Little of the mixed consumer plastics thrown away or placed in recycle bins actually ends up being recycled. Nearly 90% is buried in landfills or incinerated at commercial facilities that generate greenhouse gases and airborne toxins. Neither outcome is ideal for the environment.

Photo collage with text that reads " A New era of discovery"

ORNL, a bastion of nuclear physics research for the past 80 years, is poised to strengthen its programs and service to the United States over the next decade if national recommendations of the Nuclear Science Advisory Committee, or NSAC, are enacted.

Group photo of Attendees of the second collaborative ORNL-Vanderbilt University workshop

When the second collaborative ORNL-Vanderbilt University workshop took place on Sept. 18-19 at ORNL, about 70 researchers and students assembled to share thoughts concerning a broad spectrum of topics.

The 25th annual National School on Neutron and X-ray Scattering was held August 6–18. Each year, graduate students visit Oak Ridge and Argonne National Laboratories to learn how to use neutrons and X-rays to study energy and materials. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

In 2023, the National School on X-ray and Neutron Scattering, or NXS, marked its 25th year during its annual program, held August 6–18 at the Department of Energy’s Oak Ridge and Argonne National Laboratories.   

Attendees of SMC23 pose for their annual group photo in downtown Knoxville, TN.

ORNL hosted its annual Smoky Mountains Computational Sciences and Engineering Conference in person for the first time since the COVID-19 pandemic.