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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. 

ORNL researchers are establishing a digital thread of data, algorithms and workflows to produce a continuously updated model of earth systems.

Digital twins are exactly what they sound like: virtual models of physical reality that continuously update to reflect changes in the real world.

 

Karen White

Karen White, who works in ORNL’s Neutron Science Directorate, has been honored with a Lifetime Achievement Award.

Scientists at Oak Ridge National Laboratory contributed to several chapters of the Fifth National Climate Assessment, providing expertise in complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling. Credit: ORNL, U.S. Dept. of Energy

Scientists at ORNL used their knowledge of complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling to inform the nation’s latest National Climate Assessment, which draws attention to vulnerabilities and resilience opportunities in every region of the country.

ORNL researchers found that a polyelectrolyte additive can improve the stability and performance of a salt hydrate PCM, enhancing the potential for use in heat pumps. Credit: ORNL, U.S. Dept. of Energy

ORNL researchers demonstrated that an additive made from polymers and electrolytes improves the thermal performance and stability of salt hydrate phase change materials, or PCMs, a finding that could advance their integration into carbon-reducing heat pumps.

Kim Tutin, founder and chief executive officer of Captis Aire, receives the EPA Green Chemistry Challenge Award. Credit: Eric Vance/USEPA

The founder of a startup company who is working with ORNL has won an Environmental Protection Agency Green Chemistry Challenge Award for a unique air pollution control technology. 

Group image

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.

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.