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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

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.

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.

Naval Academy midshipmen look at tiny particle fuels while touring ORNL. Credit: Lena Shoemaker/ORNL, U.S. Dept. of Energy

Nuclear engineering students from the United States Military Academy and United States Naval Academy are working with researchers at ORNL to complete design concepts for a nuclear propulsion rocket to go to space in 2027 as part of the Defense Advanced Research Projects Agency DRACO program.

Frontier’s exascale power enables the Simple Cloud-Resolving E3SM Atmosphere Model to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Ben Hillman/Sandia National Laboratories, U.S. Dept. of Energy

A 19-member team of scientists from across the national laboratory complex won the Association for Computing Machinery’s 2023 Gordon Bell Special Prize for Climate Modeling for developing a model that uses the world’s first exascale supercomputer to simulate decades’ worth of cloud formations.

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

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.

Sangkeun “Matt” Lee received the Best Poster Award at the Institute of Electrical and Electronics Engineers 24th International Conference on Information Reuse and Integration.

Lee's paper at the August conference in Bellevue, Washington, combined weather and power outage data for three states – Texas, Michigan and Hawaii –  and used a machine learning model to predict how extreme weather such as thunderstorms, floods and tornadoes would affect local power grids and to estimate the risk for outages. The paper relied on data from the National Weather Service and the U.S. Department of Energy’s Environment for Analysis of Geo-Located Energy Information, or EAGLE-I, database.

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

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 

Front row: Victoria DiStefano and Dr. Asmeret Asefaw Berhe of DOE toured the SPRUCE experiment with Natalie Griffiths, Melanie Mayes, and Verity Salmon; back row: Dave Weston, Stephen Sebestyen (US Forest Service), Jonathan Stelling, Mark Guilliams, John Latimer (ORNL contractor), Kyle Pearson and Paul Hanson. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

The first climate scientist to head the Department of Energy’s Office of Science, Dr. Asmeret Asefaw Berhe, recently visited two ORNL-led field research facilities in Minnesota and Alaska to witness how these critically important projects are informing our understanding of the future climate and its impact on communities.

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

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.

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

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.