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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.

State and Local Economic Development Award

A partnership of ORNL, the Tennessee Department of Economic and Community Development, the Community Reuse Organization of East Tennessee and TVA that aims to attract nuclear energy-related firms to Oak Ridge has been recognized with a state and local economic development award from the Federal Laboratory Consortium.

ORNL scientists created a new microbial trait mapping process that improves on classical protoplast fusion techniques to identify the genes that trigger desirable genetic traits like improved biomass processing. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy. Reprinted with the permission of Oxford University Press, publisher of Nucleic Acids Research

ORNL scientists had a problem mapping the genomes of bacteria to better understand the origins of their physical traits and improve their function for bioenergy production.

Small modular reactor computer simulation

In a step toward advancing small modular nuclear reactor designs, scientists at Oak Ridge National Laboratory have run reactor simulations on ORNL supercomputer Summit with greater-than-expected computational efficiency.