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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.

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.

ORNL researchers, from left, Yang Liu, Xiaohan Yang and Torik Islam, collaborated on the development of a new capability to insert multiple genes simultaneously for fast, efficient transformation of plants into better bioenergy feedstocks. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

In a discovery aimed at accelerating the development of process-advantaged crops for jet biofuels, scientists at ORNL developed a capability to insert multiple genes into plants in a single step.

ORNL scientists mutated amino acids in a receptor protein, shown in green, which diminished interaction with the SARS-CoV-2 virus spike protein, shown in red. Mutating the receptor protein hampered the virus’s ability to infect host cells. Credit: ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory scientists exploring bioenergy plant genetics have made a surprising discovery: a protein domain that could lead to new COVID-19 treatments.

Oak Ridge National Laboratory led a team of scientists to design a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and future virus outbreaks. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory designed a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and other viral diseases.

This newly manufactured fixed guide vane of a hydropower turbine system was printed at the DOE Manufacturing Demonstration Facility at ORNL. Credit: Genevieve Martin/ORNL, U.S Dept. of Energy

A new report published by ORNL assessed how advanced manufacturing and materials, such as 3D printing and novel component coatings, could offer solutions to modernize the existing fleet and design new approaches to hydropower.

Jason Gardner, Sandra Davern and Peter Thornton have been elected fellows of AAAS. Credit: Laddy Fields/ORNL, U.S. Dept. of Energy

Three scientists from the Department of Energy’s Oak Ridge National Laboratory have been elected fellows of the American Association for the Advancement of Science, or AAAS.

Researchers found that moderate levels of ash — sometimes found as spheres in biomass — do not significantly affect the mechanical properties of biocomposites made up of corn stover, switchgrass and PLA thermoplastic. Credit: Andy Sproles/ORNL, U.S. Dept. of Energy

The presence of minerals called ash in plants makes little difference to the fitness of new naturally derived compound materials designed for additive manufacturing, an Oak Ridge National Laboratory-led team found.