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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.
![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.
![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.
![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.
![Researchers have shown how an all-solid lithium-based electrolyte material can be used to develop fast charging, long-range batteries for electric vehicles that are also safer than conventional designs. Credit: ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-10/Lui_solid_state_0.png?h=27870e4a&itok=hd5IA-bH)
Currently, the biggest hurdle for electric vehicles, or EVs, is the development of advanced battery technology to extend driving range, safety and reliability.
![Sam Hollifield displays a prototype of the Secure Hijack, Intrusion and Exploit Layered Detector, or SHIELD, the device monitoring the cybersecurity of the semi-truck. Credit: Lena Shoemaker/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-10/holifield_0.jpg?h=b831e800&itok=CqXSXu3l)
As vehicles gain technological capabilities, car manufacturers are using an increasing number of computers and sensors to improve situational awareness and enhance the driving experience.
![The image conceptualizes the processing, structure and mechanical behavior of glassy ion conductors for solid state lithium batteries. Credit: Adam Malin/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-10/SSB%20image_0.jpg?h=9d172ced&itok=o6AXEIXc)
As current courses through a battery, its materials erode over time. Mechanical influences such as stress and strain affect this trajectory, although their impacts on battery efficacy and longevity are not fully understood.
![ORNL’s Fulvia Pilat and Karren More recently participated in the inaugural 2023 Nanotechnology Infrastructure Leaders Summit and Workshop at the White House, held Sept. 11–13. Credit: ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-09/Rumsey%20copy_0.jpg?h=55be468c&itok=zsg7aP7f)
ORNL’s Fulvia Pilat and Karren More recently participated in the inaugural 2023 Nanotechnology Infrastructure Leaders Summit and Workshop at the White House.
![Members of the Analytics and AI Methods at Scale group in the National Center for Computational Sciences at ORNL developed the mixed-precision performance benchmarking tool OpenMxP. From left are group leader Feiyi Wang, technical lead Mike Matheson and research scientist Hao Lu. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-09/2023-P12429_0.jpg?h=8f9cfe54&itok=lGABGcYq)
As Frontier, the world’s first exascale supercomputer, was being assembled at the Oak Ridge Leadership Computing Facility in 2021, understanding its performance on mixed-precision calculations remained a difficult prospect.