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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 illustration depicts ocean surface currents simulated by MPAS-Ocean. Credit: Los Alamos National Laboratory, E3SM, U.S. Dept. of Energy

A team from DOE’s Oak Ridge, Los Alamos and Sandia National Laboratories has developed a new solver algorithm that reduces the total run time of the Model for Prediction Across Scales-Ocean, or MPAS-Ocean, E3SM’s ocean circulation model, by 45%. 

Alex May, pictured above, is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility. Credit: Carlos Jones and Wikimedia Commons, background/ORNL, U.S. Dept. of Energy
Alex May is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility, evaluating datasets developed by computational scientists before they are made public through the OLCF’s Constellation portal for open data exchange.
Debjani Pal’s photo “Three-Dimensional Breast Cancer Spheroids” won the Director’s Choice Award in Oak Ridge National Laboratory’s Art of Science photo competition. It will be displayed at the American Museum of Science and Energy in Oak Ridge, Tenn. Credit: Debjani Pal/ORNL, U.S. Dept. of Energy
“Three-Dimensional Breast Cancer Spheroids” submitted by radiotherapeutics researcher Debjani Pal is stunning. Brilliant blue dots pop from an electric sphere threaded with bright colors: greens, aqua, hot pink and red.
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. 

In a proposed carbon-capture method, magnesium oxide crystals on the ground bind to carbon dioxide molecules from the surrounding air, triggering the formation of magnesium carbonate. The magnesium carbonate is then heated to convert it back to magnesium oxide and release the carbon dioxide for placement underground, or sequestration. Credit: Adam Malin/ORNL, U.S. Dept. of Energy

Magnesium oxide is a promising material for capturing carbon dioxide directly from the atmosphere and injecting it deep underground to limit the effects of climate change. ORNL scientists are exploring ways to overcome an obstacle to making the technology economical.

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.

Mat Doucet, left, of Oak Ridge National Laboratory and Sarah Blair of the National Renewable Energy Lab used neutrons to understand an electrochemical way to produce ammonia

Scientists from Stanford University and the Department of Energy’s Oak Ridge National Laboratory are turning air into fertilizer without leaving a carbon footprint. Their discovery could deliver a much-needed solution to help meet worldwide carbon-neutral goals by 2050.

From left, Cable-Dunlap, Chi, Smith and Thornton have been named ORNL Corporate Fellows. Credit: ORNL, U.S. Dept. of Energy

Four researchers at the Department of Energy’s Oak Ridge National Laboratory have been named ORNL Corporate Fellows in recognition of significant career accomplishments and continued leadership in their scientific fields.