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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.

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.

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.

Mirko Musa was always fascinated by the power of rivers, specifically how these mighty waterways sculpt landscapes. Now, as a water power researcher, he’s finding ways to harness that power and protect rivers at the same time. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Mirko Musa spent his childhood zigzagging his bike along the Po River. The Po, Italy’s longest river, cuts through a lush valley of grain and vegetable fields, which look like a green and gold ocean spreading out from the river’s banks. 

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.

Rigoberto Advincula

Rigoberto Advincula, a renowned scientist at ORNL and professor of Chemical and Biomolecular Engineering at the University of Tennessee, has won the Netzsch North American Thermal Analysis Society Fellows Award for 2023.

Tomonori Saito, Oak Ridge National Laboratory’s Inventor of the Year, was honored at Battelle’s Celebration of Solvers. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Tomonori Saito, a distinguished innovator in the field of polymer science and senior R&D staff member at ORNL, was honored on May 11 in Columbus, Ohio, at Battelle’s Celebration of Solvers.

Climate change often comes down to how it affects water, whether it’s for drinking, electricity generation, or how flooding affects people and infrastructure. To better understand these impacts, ORNL water resources engineer Sudershan Gangrade is integrating knowledge ranging from large-scale climate projections to local meteorology and hydrology and using high-performance computing to create a holistic view of the future.

Climate change often comes down to how it affects water, whether it’s for drinking, electricity generation, or how flooding affects people and infrastructure. To better understand these impacts, ORNL water resources engineer Sudershan Gangrade is integrating knowledge ranging from large-scale climate projections to local meteorology and hydrology and using high-performance computing to create a holistic view of the future.

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.