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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.
![Image of circuitry representing AI.](/sites/default/files/styles/list_page_thumbnail/public/2023-11/ai-generic_0.jpg?h=7a6e80fd&itok=kM92w4I_)
Research performed by a team, including scientists from ORNL and Argonne National Laboratory, has resulted in a Best Paper Award at the 19th IEEE International Conference on eScience.
![From left are Analytics and AI Methods at Scale group leader Feiyi Wang, technical lead Mike Matheson and research scientist Hao Lu.](/sites/default/files/styles/list_page_thumbnail/public/2023-11/2023-P12429_0.jpg?h=55be468c&itok=tajHF4hU)
The team that built Frontier set out to break the exascale barrier, but the supercomputer’s record-breaking didn’t stop there.
![Staff working on construction and facility updates in preparation for the Frontier, the world’s first exascale supercomputer.](/sites/default/files/styles/list_page_thumbnail/public/2023-11/MicrosoftTeams-image_0.png?h=c6980913&itok=_zXnovna)
Making room for the world’s first exascale supercomputer took some supersized renovations.
![Researchers used Frontier, the world’s first exascale supercomputer, to simulate a magnesium system of nearly 75,000 atoms and the National Energy Research Computing Center’s Perlmutter supercomputer to simulate a quasicrystal structure, above, in a ytterbium-cadmium alloy. Credit: Vikram Gavini](/sites/default/files/styles/list_page_thumbnail/public/2023-11/Gavini_quasiCrystal_0.png?h=c85002af&itok=6QPdbiZo)
Researchers used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.
![Frontier’s exascale power enables the Energy, Exascale and Earth System Model-Multiscale Modeling Framework — or E3SM-MMF — project to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Mark Taylor/Sandia National Laboratories, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-11/E3SM-MMF.png?h=21f5ce54&itok=UAeMXyqa)
The world’s first exascale supercomputer will help scientists peer into the future of global climate change and open a window into weather patterns that could affect the world a generation from now.
![Group image](/sites/default/files/styles/list_page_thumbnail/public/2023-10/2023-P11446_0.jpg?h=8f9cfe54&itok=bk8wRZSk)
In response to a renewed international interest in molten salt reactors, researchers from the Department of Energy’s Oak Ridge National Laboratory have developed a novel technique to visualize molten salt intrusion in graphite.
![The sun sets behind the ORNL Visitor Center in this aerial photo from April 2023. Credit: Kase Clapp/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-10/sunset_visitor-center_0.png?h=10d202d3&itok=jLImPT0R)
In fiscal year 2023 — Oct. 1–Sept. 30, 2023 — Oak Ridge National Laboratory was awarded more than $8 million in technology maturation funding through the Department of Energy’s Technology Commercialization Fund, or TCF.
![The 25th annual National School on Neutron and X-ray Scattering was held August 6–18. Each year, graduate students visit Oak Ridge and Argonne National Laboratories to learn how to use neutrons and X-rays to study energy and materials. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-09/2023-p10442.jpg?itok=FQ3zJsfW)
In 2023, the National School on X-ray and Neutron Scattering, or NXS, marked its 25th year during its annual program, held August 6–18 at the Department of Energy’s Oak Ridge and Argonne National Laboratories.
![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.