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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.
![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.
![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.
![Frontier has arrived, and ORNL is preparing for science on Day One. Credit: Carlos Jones/ORNL, Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2022-05/Frontier%20endcap.jpg?h=c6980913&itok=5i5DUzQz)
The Frontier supercomputer at the Department of Energy’s Oak Ridge National Laboratory earned the top ranking today as the world’s fastest on the 59th TOP500 list, with 1.1 exaflops of performance. The system is the first to achieve an unprecedented level of computing performance known as exascale, a threshold of a quintillion calculations per second.
![ORNL, VA and Harvard researchers developed a sparse matrix full of anonymized information on what is thought to be the largest cohort of healthcare data used for this type of research in the U.S. The matrix can be probed with different methods, such as KESER, to gain new insights into human health. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2022-04/2022-G00330_KESER%20Illustration_0.jpg?h=1cb48fc4&itok=c6ZuDdDg)
A team of researchers has developed a novel, machine learning–based technique to explore and identify relationships among medical concepts using electronic health record data across multiple healthcare providers.
![Dongarra in 2019 with Oak Ridge National Laboratory's Summit supercomputer](/sites/default/files/styles/list_page_thumbnail/public/2022-03/I%29%20Dongarra_IBM_Summit_Superomputer.jpeg?h=4bf1c8f5&itok=9sM8m0Iz)
A force within the supercomputing community, Jack Dongarra developed software packages that became standard in the industry, allowing high-performance computers to become increasingly more powerful in recent decades.
![Mars Rover 2020](/sites/default/files/styles/list_page_thumbnail/public/2019-03/Mars_0.jpg?h=c44fcfa1&itok=gSstQOJO)
More than 50 current employees and recent retirees from ORNL received Department of Energy Secretary’s Honor Awards from Secretary Jennifer Granholm in January as part of project teams spanning the national laboratory system. The annual awards recognized 21 teams and three individuals for service and contributions to DOE’s mission and to the benefit of the nation.
![Verónica Melesse Vergara speaks with third and fourth graders at East Side Intermediate School in Brownsville. Credit: ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2021-02/EWeek_vergara_0.jpg?h=c44fcfa1&itok=-FdYpHed)
Twenty-seven ORNL researchers Zoomed into 11 middle schools across Tennessee during the annual Engineers Week in February. East Tennessee schools throughout Oak Ridge and Roane, Sevier, Blount and Loudon counties participated, with three West Tennessee schools joining in.
![Paul Kent, shown above posing with Summit in April 2018, received the 2020 ORNL Director’s Award for Outstanding Individual Accomplishment in Science and Technology. Credit: ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2020-11/DA_Kent.jpg?h=48cf6540&itok=Ocw9WcgV)
The annual Director's Awards recognized four individuals and teams including awards for leadership in quantum simulation development and application on high-performance computing platforms, and revolutionary advancements in the area of microbial
![Frontier supercomputer](/sites/default/files/styles/list_page_thumbnail/public/2023-01/frontier_0.jpg?h=a1e1a043&itok=J3IM_Xeh)
A multi-institutional team, led by a group of investigators at Oak Ridge National Laboratory, has been studying various SARS-CoV-2 protein targets, including the virus’s main protease. The feat has earned the team a finalist nomination for the Association of Computing Machinery, or ACM, Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research.