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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.
![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.
![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.
![red and green sphagnum moss](/sites/default/files/styles/list_page_thumbnail/public/2023-10/2022-P05000_0.jpg?h=971886de&itok=7xwMranw)
A type of peat moss has surprised scientists with its climate resilience: Sphagnum divinum is actively speciating in response to hot, dry conditions.
![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.
![Summit Plus banner](/sites/default/files/styles/list_page_thumbnail/public/2023-09/SummitPlus%20banner_0.png?h=ae114f5c&itok=Ui95ZMpw)
The Oak Ridge Leadership Computing Facility, a Department of Energy Office of Science user facility at ORNL, is pleased to announce a new allocation program for computing time on the IBM AC922 Summit supercomputer.
![Director of ORNL’s AI Initiative Prasanna Balaprakash addresses attendees at the Generative AI for ORNL Science Workshop. Credit: ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-09/prasannaSMC2023_0.jpg?h=89f9a9b4&itok=N5nInOPo)
The Department of Energy’s Oak Ridge National Laboratory hosted its Smoky Mountains Computational Science and Engineering Conference for the first time in person since the COVID pandemic broke in 2020. The conference, which celebrated its 20th consecutive year, took place at the Crowne Plaza Hotel in downtown Knoxville, Tenn., in late August.