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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. 

2023 Battelle Distinguished Inventors

Four scientists affiliated with ORNL were named Battelle Distinguished Inventors during the lab’s annual Innovation Awards on Dec. 1 in recognition of being granted 14 or more United States patents.

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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.

When exposed to radiation, electrons produced within molten zinc chloride, or ZnCl2, can be observed in three distinct singly occupied molecular orbital states, plus a more diffuse, delocalized state. Credit: Hung H. Nguyen/University of Iowa

In a finding that helps elucidate how molten salts in advanced nuclear reactors might behave, scientists have shown how electrons interacting with the ions of the molten salt can form three states with different properties. Understanding these states can help predict the impact of radiation on the performance of salt-fueled reactors.

Director of ORNL’s AI Initiative Prasanna Balaprakash addresses attendees at the Generative AI for ORNL Science Workshop. Credit: ORNL, U.S. Dept. of Energy

The Department of Energy’s Oak Ridge National Laboratory hosted its Smoky Mountains Computational Science and Engineering Conference for the first time in person since the COVID pandemic broke in 2020. The conference, which celebrated its 20th consecutive year, took place at the Crowne Plaza Hotel in downtown Knoxville, Tenn., in late August.

Scientists conducted microbial DNA sampling at a Yellowstone National Park hot spring for a study sponsored by DOE’s Biological and Environmental Research program, the National Science Foundation and NASA. Credit: Mircea Podar/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory scientists studied hot springs on different continents and found similarities in how some microbes adapted despite their geographic diversity.

Chathuddasie Amarasinghe explains her research poster, “Using Microfluidic Mother Machine Devices to Study the Correlated Dynamics of Ribosomes and Chromosomes in Escherichia Coli.” Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Speakers, scientific workshops, speed networking, a student poster showcase and more energized the Annual User Meeting of the Department of Energy’s Center for Nanophase Materials Sciences, or CNMS, Aug. 7-10, near Market Square in downtown Knoxville, Tennessee.

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Madhavi Martin brings a physicist’s tools and perspective to biological and environmental research at the Department of Energy’s Oak Ridge National Laboratory, supporting advances in bioenergy, soil carbon storage and environmental monitoring, and even helping solve a murder mystery.

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Creating energy the way the sun and stars do — through nuclear fusion — is one of the grand challenges facing science and technology. What’s easy for the sun and its billions of relatives turns out to be particularly difficult on Earth.

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Scientist-inventors from ORNL will present seven new technologies during the Technology Innovation Showcase on Friday, July 14, from 8 a.m.–4 p.m. at the Joint Institute for Computational Sciences on ORNL’s campus.