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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

Researchers used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.

Logo that reads U.S. Department of Energy INCITE Leadership Computing

The Department of Energy’s Office of Science has allocated supercomputer access to a record-breaking 75 computational science projects for 2024 through its Innovative and Novel Computational Impact on Theory and Experiment, or INCITE, program. DOE is awarding 60% of the available time on the leadership-class supercomputers at DOE’s Argonne and Oak Ridge National Laboratories to accelerate discovery and innovation. 

ORNL scientists developed a method that improves the accuracy of the CRISPR Cas9 gene editing tool used to modify microbes for renewable fuels and chemicals production. This research draws on the lab’s expertise in quantum biology, artificial intelligence and synthetic biology. Credit: Philip Gray/ORNL, U.S. Dept. of Energy

Scientists at ORNL used their expertise in quantum biology, artificial intelligence and bioengineering to improve how CRISPR Cas9 genome editing tools work on organisms like microbes that can be modified to produce renewable fuels and chemicals.

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

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 David Sholl is director of the new DOE Energy Earthshot Non-Equilibrium Energy Transfer for Efficient Reactions center to help decarbonize the industrial chemical industry. Credit: Genevieve Martin, ORNL/U.S. Dept. of Energy

ORNL has been selected to lead an Energy Earthshot Research Center, or EERC, focused on developing chemical processes that use sustainable methods instead of burning fossil fuels to radically reduce industrial greenhouse gas emissions to stem climate change and limit the crisis of a rapidly warming planet.
 

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.  

A beam of excited sodium-32 nuclei implants in the FRIB Decay Station initiator is used to detect decay signatures of isotopes. Credit: Gary Hollenhead, Toby King and Adam Malin/ORNL, U.S. Dept. of Energy

Timothy Gray of ORNL led a study that may have revealed an unexpected change in the shape of an atomic nucleus. The surprise finding could affect our understanding of what holds nuclei together, how protons and neutrons interact and how elements form.

The DuAlumin-3D research team developed a lightweight, aluminum alloy for additive manufacturing. Credit: Carlos Jones, ORNL/U.S. Dept. of Energy

Dean Pierce of ORNL and a research team led by ORNL’s Alex Plotkowski were honored by DOE’s Vehicle Technologies Office for development of novel high-performance alloys that can withstand extreme environments.

Frontier supercomputer

Innovations in artificial intelligence are rapidly shaping our world, from virtual assistants and chatbots to self-driving cars and automated manufacturing.

Rigoberto Advincula

Rigoberto Advincula, a renowned scientist at ORNL and professor of Chemical and Biomolecular Engineering at the University of Tennessee, has won the Netzsch North American Thermal Analysis Society Fellows Award for 2023.