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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. 

Hilda Klasky

Hilda Klasky, an R&D staff member in the Scalable Biomedical Modeling group at ORNL, has been selected as a senior member of the Association of Computing Machinery, or ACM.

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.

Steve Nolan, left, who manages many ORNL facilities for United Cleanup Oak Ridge, and Carl Dukes worked closely together to accommodate bringing members of the public into the Oak Ridge Reservation to collect distant images from overhead for the BRIAR biometric recognition project. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Carl Dukes’ career as an adept communicator got off to a slow start: He was about 5 years old when he spoke for the first time. “I’ve been making up for lost time ever since,” joked Dukes, a technical professional at the Department of Energy’s Oak Ridge National Laboratory.

ORNL researchers are demonstrating an automation system for this portable system, currently based in Colorado, for treatment of non-traditional water sources to drinking water standards. Credit: Tzahi Cath/Colorado School of Mines

Researchers at ORNL are developing advanced automation techniques for desalination and water treatment plants, enabling them to save energy while providing affordable drinking water to small, parched communities without high-quality water supplies.

ORNL researchers encoded grid hardware operating data into a color band hidden inside photographs, video or artwork, as shown in this photo. The visual can then be transmitted to a utility’s control center for decoding. Credit: ORNL/U.S. Dept. of Energy

Inspired by one of the mysteries of human perception, an ORNL researcher invented a new way to hide sensitive electric grid information from cyberattack: within a constantly changing color palette.

From left to right, Cortney Piper, executive director of the Tennessee Advanced Energy Business Council; Susan Hubbard, ORNL deputy for science and technology; Dan Miller, innovation Crossroads program lead; and Mike Paulus, ORNL director of technology transfer, attend the Innovation Crossroads Showcase at the Knoxville Chamber on Sept. 22. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

A crowd of investors and supporters turned out for last week’s Innovation Crossroads Showcase at the Knoxville Chamber as part of Innov865 Week. Sponsored by ORNL and the Tennessee Advanced Energy Business Council, the event celebrated deep-tech entrepreneurs and the Oak Ridge Corridor as a growing energy innovation hub for the nation.

ORNL, VA and Harvard researchers developed a sparse matrix full of anonymized information on what is thought to be the largest cohort of healthcare data used for this type of research in the U.S. The matrix can be probed with different methods, such as KESER, to gain new insights into human health. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy

A team of researchers has developed a novel, machine learning–based  technique to explore and identify relationships among medical concepts using electronic health record data across multiple healthcare providers.

Genetic analysis revealed connections between inflammatory activity and development of atomic dermatitis, according to researchers from the UPenn School of Medicine, the Perelman School of Medicine, and Oak Ridge National Laboratory. Credit: Kang Ko/UPenn

University of Pennsylvania researchers called on computational systems biology expertise at Oak Ridge National Laboratory to analyze large datasets of single-cell RNA sequencing from skin samples afflicted with atopic dermatitis.

ORNL researchers worked with partners at the Colorado School of Mines and Baylor University to develop a new process optimization and control method for a closed-circuit reverse osmosis desalination system. The work is intended to support fully automated, decentralized water treatment plants. Credit: Andrew Sproles/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory scientists worked with the Colorado School of Mines and Baylor University to develop and test control methods for autonomous water treatment plants that use less energy and generate less waste.