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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](/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.
![ORNL researchers are establishing a digital thread of data, algorithms and workflows to produce a continuously updated model of earth systems.](/sites/default/files/styles/list_page_thumbnail/public/2023-11/MicrosoftTeams-image%20%2823%29_0.png?h=c6980913&itok=cK99Pg3y)
Digital twins are exactly what they sound like: virtual models of physical reality that continuously update to reflect changes in the real world.
![Scientists at Oak Ridge National Laboratory contributed to several chapters of the Fifth National Climate Assessment, providing expertise in complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling. Credit: ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-11/EarthSystem_2023NCA5.jpg?h=d1cb525d&itok=r043oHRM)
Scientists at ORNL used their knowledge of complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling to inform the nation’s latest National Climate Assessment, which draws attention to vulnerabilities and resilience opportunities in every region of the country.
![The Department of Energy’s Oak Ridge National Laboratory announced the establishment of its Center for AI Security Research, or CAISER, to address threats already present as governments and industries around the world adopt artificial intelligence and take advantage of the benefits it promises in data processing, operational efficiencies and decision-making. Credit: Rachel Green/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-09/CAISER%20image2.png?h=d1cb525d&itok=VcPbKvuS)
The Department of Energy’s Oak Ridge National Laboratory announced the establishment of the Center for AI Security Research, or CAISER, to address threats already present as governments and industries around the world adopt artificial intelligence and take advantage of the benefits it promises in data processing, operational efficiencies and decision-making.
![Attendees of SMC23 pose for their annual group photo in downtown Knoxville, TN.](/sites/default/files/styles/list_page_thumbnail/public/2023-09/2023-P12048.jpg?h=b18108c1&itok=nPUCBfNi)
ORNL hosted its annual Smoky Mountains Computational Sciences and Engineering Conference in person for the first time since the COVID-19 pandemic.
![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.
![Cody Lloyd stands in front of images of historical nuclear field testing. The green and red dots are the machine learning algorithm recognizing features in the image. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-08/2023-P05797_0.jpg?h=4a7d1ed4&itok=S8h_wvJX)
Cody Lloyd became a nuclear engineer because of his interest in the Manhattan Project, the United States’ mission to advance nuclear science to end World War II. As a research associate in nuclear forensics at ORNL, Lloyd now teaches computers to interpret data from imagery of nuclear weapons tests from the 1950s and early 1960s, bringing his childhood fascination into his career
![Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-08/2023-P06111_0.jpg?h=c6980913&itok=dgI-yVRh)
After completing a bachelor’s degree in biology, Toya Beiswenger didn’t intend to go into forensics. But almost two decades later, the nuclear security scientist at ORNL has found a way to appreciate the art of nuclear forensics.
![Clouds of gray smoke in the lower left are funneled northward from wildfires in Western Canada, reaching the edge of the sea ice covering the Arctic Ocean. A second path of thick smoke is visible at the top center of the image, emanating from wildfires in the boreal areas of Russia’s Far East, in this image captured on July 13, 2023. Credit: NASA MODIS](/sites/default/files/styles/list_page_thumbnail/public/2023-07/NASA%20Arctic%20Circle%20wildfire%20smoke_image07182023_1km_1.jpg?h=dbdc3f84&itok=oHQVs6Bn)
Wildfires have shaped the environment for millennia, but they are increasing in frequency, range and intensity in response to a hotter climate. The phenomenon is being incorporated into high-resolution simulations of the Earth’s climate by scientists at the Department of Energy’s Oak Ridge National Laboratory, with a mission to better understand and predict environmental change.
![Two researchers standing back to back in a grassy area](/sites/default/files/styles/list_page_thumbnail/public/2023-07/CSJ_1716_updated.jpg?h=2dfa0735&itok=U-3yNm3M)
When geoinformatics engineering researchers at the Department of Energy’s Oak Ridge National Laboratory wanted to better understand changes in land areas and points of interest around the world, they turned to the locals — their data, at least.