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2023 Top Science Achievements at SNS & HFIR

The 2023 top science achievements from HFIR and SNS feature a broad range of materials research published in high impact journals such as Nature and Advanced Materials.

Summit debuted in 2018 at No.1 on the TOP500 list of the world’s most powerful supercomputers with a peak performance of 200 petaflops. Since then, nearly 5,000 users have used Summit to conduct research on climate, energy, public health and national security.

The U.S. Department of Energy’s Oak Ridge Leadership Computing Facility has informed the recipients of high-performance computing time through the SummitPLUS allocation program, which extends the operation of the Summit supercomputer through October 2024. 

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. 

ORNL researchers contributed biomass resources analysis to a new report that says carbon dioxide removal targets can be reached by 2050 using existing technology. Source: Jason Richards/ORNL, U.S. Dept. of Energy

Scientists from more than a dozen institutions have completed a first-of-its-kind high-resolution assessment of carbon dioxide removal potential in the United States, charting a path to achieve a net-zero greenhouse gas economy by 2050.

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.

A Univ. of Michigan-led team used Frontier, the world’s first exascale supercomputer, to simulate a system of nearly 75,000 magnesium atoms at near-quantum accuracy. Credit: SC23

 

A team of eight scientists won the Association for Computing Machinery’s 2023 Gordon Bell Prize for their study that used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.

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.

From left are Analytics and AI Methods at Scale group leader Feiyi Wang, technical lead Mike Matheson and research scientist Hao Lu.

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.

Making room for the world’s first exascale supercomputer took some supersized renovations.