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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. 

Director of ORNL’s AI Initiative Prasanna Balaprakash addresses attendees at the Generative AI for ORNL Science Workshop. Credit: ORNL, U.S. Dept. of Energy

The Department of Energy’s Oak Ridge National Laboratory hosted its Smoky Mountains Computational Science and Engineering Conference for the first time in person since the COVID pandemic broke in 2020. The conference, which celebrated its 20th consecutive year, took place at the Crowne Plaza Hotel in downtown Knoxville, Tenn., in late August.

A 3D printed thermal protection shield, produced by ORNL researchers for NASA, is part of a cargo spacecraft bound for the International Space Station. The shield was printed at the Department of Energy’s Manufacturing Demonstration Facility at ORNL. Credit: ORNL, U.S. Dept. of Energy

A research team at Oak Ridge National Laboratory have 3D printed a thermal protection shield, or TPS, for a capsule that will launch with the Cygnus cargo spacecraft as part of the supply mission to the International Space Station.

ORNL researchers combined additive manufacturing with conventional compression molding to produce high-performance thermoplastic composites, demonstrating the potential for the use of large-scale multimaterial preforms to create molded composites. Credit: ORNL/U.S. Dept. of Energy

Oak Ridge National Laboratory researchers combined additive manufacturing with conventional compression molding to produce high-performance thermoplastic composites reinforced with short carbon fibers.

The CrossVis application includes a parallel coordinates plot (left), a tiled image view (right) and other interactive data views. Credit: Chad Steed/Oak Ridge National Laboratory, U.S. Dept. of Energy

From materials science and earth system modeling to quantum information science and cybersecurity, experts in many fields run simulations and conduct experiments to collect the abundance of data necessary for scientific progress.

Coronavirus graphic

In the race to identify solutions to the COVID-19 pandemic, researchers at the Department of Energy’s Oak Ridge National Laboratory are joining the fight by applying expertise in computational science, advanced manufacturing, data science and neutron science.

Snapshot of total temperature distribution at supersonic speed of mach 2.4. Total temperature allows the team to visualize the extent of the exhaust plumes as the temperature of the plumes is much greater than that of the surrounding atmosphere. Credit: NASA

The type of vehicle that will carry people to the Red Planet is shaping up to be “like a two-story house you’re trying to land on another planet. 

Layering on the strength

A team including Oak Ridge National Laboratory and University of Tennessee researchers demonstrated a novel 3D printing approach called Z-pinning that can increase the material’s strength and toughness by more than three and a half times compared to conventional additive manufacturing processes.

Tungsten tiles for fusion

Using additive manufacturing, scientists experimenting with tungsten at Oak Ridge National Laboratory hope to unlock new potential of the high-performance heat-transferring material used to protect components from the plasma inside a fusion reactor. Fusion requires hydrogen isotopes to reach millions of degrees.

Galactic wind simulation

Using the Titan supercomputer at Oak Ridge National Laboratory, a team of astrophysicists created a set of galactic wind simulations of the highest resolution ever performed. The simulations will allow researchers to gather and interpret more accurate, detailed data that elucidates how galactic winds affect the formation and evolution of galaxies.