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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. 

Photo collage with text that reads " A New era of discovery"

ORNL, a bastion of nuclear physics research for the past 80 years, is poised to strengthen its programs and service to the United States over the next decade if national recommendations of the Nuclear Science Advisory Committee, or NSAC, are enacted.

Steven Hamilton, an R&D scientist in the HPC Methods for Nuclear Applications group at ORNL, leads the ExaSMR project. ExaSMR was developed to run on the Oak Ridge Leadership Computing Facility’s exascale-class supercomputer, Frontier. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

The Exascale Small Modular Reactor effort, or ExaSMR, is a software stack developed over seven years under the Department of Energy’s Exascale Computing Project to produce the highest-resolution simulations of nuclear reactor systems to date. Now, ExaSMR has been nominated for a 2023 Gordon Bell Prize by the Association for Computing Machinery and is one of six finalists for the annual award, which honors outstanding achievements in high-performance computing from a variety of scientific domains.  

The Fuel Pellet Fueling Laboratory at ORNL is part of a suite of fusion energy R&D capabilities and provides test equipment and related diagnostics for carrying out experiments to develop pellet injectors for plasma fueling applications. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

ORNL will team up with six of eight companies that are advancing designs and research and development for fusion power plants with the mission to achieve a pilot-scale demonstration of fusion within a decade.

Xunxiang Hu, a Eugene P. Wigner Fellow in ORNL’s Materials Science and Technology Division, designed this machine to produce large, crack-free pieces of yttrium hydride to be used as a moderator in the core of ORNL’s Transformational Challenge Reactor and other microreactors. Credit: Xunxiang Hu/ORNL, U.S. Dept. of Energy

About 60 years ago, scientists discovered that a certain rare earth metal-hydrogen mixture, yttrium, could be the ideal moderator to go inside small, gas-cooled nuclear reactors.

Yanwen Zhang

In the search to create materials that can withstand extreme radiation, Yanwen Zhang, a researcher at the Department of Energy’s Oak Ridge National Laboratory, says that materials scientists must think outside the box.

At the U.S. Department of Energy Manufacturing Demonstration Facility at ORNL, this part for a scaled-down prototype of a reactor was produced for industry partner Kairos Power.

Scientists at the Department of Energy Manufacturing Demonstration Facility at ORNL have their eyes on the prize: the Transformational Challenge Reactor, or TCR, a microreactor built using 3D printing and other new approaches that will be up and running by 2023.

Weiju Ren’s knowledgebase is making the nuclear world safer. Called DOE’s Gen IV Materials Handbook, it manages data about structural materials for the Very High Temperature Reactor. Credit: Carlos Jones/Oak Ridge National Laboratory, U.S. Dept. of Energy

Six new nuclear reactor technologies are set to deploy for commercial use between 2030 and 2040. Called Generation IV nuclear reactors, they will operate with improved performance at dramatically higher temperatures than today’s reactors.

Combining fundamental chemistry with high-performance computing resources at ORNL, researchers demonstrate a more efficient method for recovering uranium from seawater, unveiling a prototype material that outperforms best-in-class uranium adsorbents. Credit: Alexander Ivanov/Oak Ridge National Laboratory, U.S. Dept. of Energy.

Scientists have demonstrated a new bio-inspired material for an eco-friendly and cost-effective approach to recovering uranium from seawater.

ORNL collaborator Hsiu-Wen Wang led the neutron scattering experiments at the Spallation Neutron Source to probe complex electrolyte solutions that challenge nuclear waste processing at Hanford and other sites. Credit: Genevieve Martin/Oak Ridge National Laboratory, U.S. Dept. of Energy.

Researchers at the Department of Energy’s Oak Ridge National Laboratory, Pacific Northwest National Laboratory and Washington State University teamed up to investigate the complex dynamics of low-water liquids that challenge nuclear waste processing at federal cleanup sites.