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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.
![A collaboration between Oak Ridge National Laboratory and Caterpillar Inc. will investigate using methanol as an alternative fuel source for marine vessels. Members of the research team kicked off the project with the installation of a 6-cylinder engine at the Department of Energy’s National Transportation Research Center at ORNL.](/sites/default/files/styles/list_page_thumbnail/public/2023-12/2023-P19061%5B26%5D.jpg?h=c6980913&itok=F0MRmlmI)
ORNL and Caterpillar Inc. have entered into a cooperative research and development agreement, or CRADA, to investigate using methanol as an alternative fuel source for four-stroke internal combustion marine engines.
![Eric Nafziger, a technical staff member at the National Transportation Research Center at Oak Ridge National Laboratory’s Hardin Valley Campus, supports the installation of the largest alternative fuels research engines for marine and rail in the U.S. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-12/2023-P16593.jpeg?h=a73d1746&itok=jpdVXbUY)
Within the Department of Energy’s National Transportation Research Center at ORNL’s Hardin Valley Campus, scientists investigate engines designed to help the U.S. pivot to a clean mobility future.
![ORNL’s Climate Change Science Institute and Georgia Tech co-hosted a Southeast Decarbonization Workshop in November 2023. Credit: ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-11/GaWorkshop_Decarb_Nov2023.jpg?h=71976bb4&itok=2CsciglE)
ORNL's Climate Change Science Institute and the Georgia Institute of Technology hosted a Southeast Decarbonization Workshop in November that drew scientists and representatives from government, industry, non-profits and other organizations to
![The Frontier exascale supercomputer at Oak Ridge National Laboratory. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-11/52117623843_512fd5631b_c.jpg?h=58082582&itok=N8ldUZ5g)
ORNL has joined a global consortium of scientists from federal laboratories, research institutes, academia and industry to address the challenges of building large-scale artificial intelligence systems and advancing trustworthy and reliable AI for
![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.