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Media Contacts
![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](/sites/default/files/styles/list_page_thumbnail/public/2023-12/image001_0.png?h=16ec4b77&itok=KtCjteSq)
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.
![Steven Hamilton, an R&D scientist in the HPC Methods for Nuclear Applications group at ORNL, leads the ExaSMR project. ExaSMR was developed to run on the Oak Ridge Leadership Computing Facility’s exascale-class supercomputer, Frontier. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-09/2023-P00165_1.jpg?h=c6980913&itok=YE6_qVLk)
The Exascale Small Modular Reactor effort, or ExaSMR, is a software stack developed over seven years under the Department of Energy’s Exascale Computing Project to produce the highest-resolution simulations of nuclear reactor systems to date. Now, ExaSMR has been nominated for a 2023 Gordon Bell Prize by the Association for Computing Machinery and is one of six finalists for the annual award, which honors outstanding achievements in high-performance computing from a variety of scientific domains.
![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](/sites/default/files/styles/list_page_thumbnail/public/2023-03/Picture1_0.png?h=d55ce37e&itok=Q2qLUWnE)
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.
![The agreement builds upon years of collaboration, including a 2016 effort using modeling tools developed at ORNL to predict the first six months of operations of TVA’s Watts Bar Unit 2 nuclear power plant. Credit: Andrew Godfrey/Oak Ridge National Laboratory, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2020-02/wb2_xenon_1.png?h=19940d61&itok=Da4pDLde)
OAK RIDGE, Tenn., Feb. 19, 2020 — The U.S. Department of Energy’s Oak Ridge National Laboratory and the Tennessee Valley Authority have signed a memorandum of understanding to evaluate a new generation of flexible, cost-effective advanced nuclear reactors.
![Small modular reactor computer simulation](/sites/default/files/styles/list_page_thumbnail/public/2019-04/Nuclear_simulation_scale-up.jpg?h=5992a83f&itok=A0oscIPL)
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.
![ORNL staff members (from left) Ashley Shields, Michael Galloway, Ketan Maheshwari and Andrew Miskowiec are collaborating on a project focused on predicting and analyzing crystal structures of new uranium oxide phases. Credit: Jason Richards/ORNL](/sites/default/files/styles/list_page_thumbnail/public/2019-03/teamphotoforhighlight_0.jpg?h=a00326b7&itok=O4yDtVj6)
Scientists at the Department of Energy’s Oak Ridge National Laboratory are working to understand both the complex nature of uranium and the various oxide forms it can take during processing steps that might occur throughout the nuclear fuel cycle.