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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%. 

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. 

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.

ORNL researchers are establishing a digital thread of data, algorithms and workflows to produce a continuously updated model of earth systems.

Digital twins are exactly what they sound like: virtual models of physical reality that continuously update to reflect changes in the real world.

 

A small droplet of water is suspended in midair via an electrostatic levitator that lifts charged particles using an electric field that counteracts gravity. Credit: Iowa State University/ORNL, U.S. Dept. of Energy

How do you get water to float in midair? With a WAND2, of course. But it’s hardly magic. In fact, it’s a scientific device used by scientists to study matter.

2023 Battelle Distinguished Inventors

Four scientists affiliated with ORNL were named Battelle Distinguished Inventors during the lab’s annual Innovation Awards on Dec. 1 in recognition of being granted 14 or more United States patents.

ORNL researchers Lu Yu and Yaocai Bai examine vials that contain a chemical solution that causes the cobalt and lithium to separate from a spent battery, followed by a second stage when cobalt precipitates in the bottom. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Used lithium-ion batteries from cell phones, laptops and a growing number of electric vehicles are piling up, but options for recycling them remain limited mostly to burning or chemically dissolving shredded batteries.

Seeing the difference Ac-225 could make to cancer patients made Raina Setzer want to come to ORNL to directly work with the isotope. Credit: Allison Peacock/ORNL, U.S. Dept. of Energy

Raina Setzer knows the work she does matters. That’s because she’s already seen it from the other side. Setzer, a radiochemical processing technician in Oak Ridge National Laboratory’s Isotope Processing and Manufacturing Division, joined the lab in June 2023.

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Waiting for answers surrounding a healthcare condition can be as stressful as the condition itself. Maria Mahbub, a research collaborator at Oak Ridge National Laboratory, is developing technology that could help providers and patients get answers sooner.

ORNL Composites Innovation staff members David Nuttall, left, and Vipin Kumar use additive manufacturing compression molding to produce a composite-based finished part in minutes. AMCM technology could accelerate decarbonization of the automobile and aerospace industries. Credit: ORNL, U.S. Dept. of Energy

Researchers at ORNL are extending the boundaries of composite-based materials used in additive manufacturing, or AM. ORNL is working with industrial partners who are exploring AM, also known as 3D printing, as a path to higher production levels and fewer supply chain interruptions.