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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. 

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.

ORNL’s award-winning ultraclean condensing high-efficiency natural gas furnace features an affordable add-on technology that can remove more than 99.9% of acidic gases and other emissions. The technology can also be added to other natural gas-driven equipment. Credit: Jill Hemman/ORNL

Natural gas furnaces not only heat your home, they also produce a lot of pollution. Even modern high-efficiency condensing furnaces produce significant amounts of corrosive acidic condensation and unhealthy levels of nitrogen oxides