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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. 

Conceptual art depicts machine learning finding an ideal material for capacitive energy storage. Its carbon framework (black) has functional groups with oxygen (pink) and nitrogen (turquoise). Credit: Tao Wang/ORNL, U.S. Dept. of Energy

Guided by machine learning, chemists at ORNL designed a record-setting carbonaceous supercapacitor material that stores four times more energy than the best commercial material.

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.

Frontier’s exascale power enables the Energy, Exascale and Earth System Model-Multiscale Modeling Framework — or E3SM-MMF — project to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Mark Taylor/Sandia National Laboratories, U.S. Dept. of Energy

The world’s first exascale supercomputer will help scientists peer into the future of global climate change and open a window into weather patterns that could affect the world a generation from now.

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In response to a renewed international interest in molten salt reactors, researchers from the Department of Energy’s Oak Ridge National Laboratory have developed a novel technique to visualize molten salt intrusion in graphite.

The sun sets behind the ORNL Visitor Center in this aerial photo from April 2023. Credit: Kase Clapp/ORNL, U.S. Dept. of Energy

In fiscal year 2023 — Oct. 1–Sept. 30, 2023 — Oak Ridge National Laboratory was awarded more than $8 million in technology maturation funding through the Department of Energy’s Technology Commercialization Fund, or TCF.

ORNL’s organocatalyst deconstructs mixed plastics at different temperatures, which facilitates recovering their individual monomers separately, in reusable form. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Little of the mixed consumer plastics thrown away or placed in recycle bins actually ends up being recycled. Nearly 90% is buried in landfills or incinerated at commercial facilities that generate greenhouse gases and airborne toxins. Neither outcome is ideal for the environment.

The OpeN-AM experimental platform, installed at the VULCAN instrument at ORNL’s Spallation Neutron Source, features a robotic arm that prints layers of molten metal to create complex shapes. This allows scientists to study 3D printed welds microscopically. Credit: Jill Hemman, ORNL/U.S. Dept. of Energy

Using neutrons to see the additive manufacturing process at the atomic level, scientists have shown that they can measure strain in a material as it evolves and track how atoms move in response to stress.

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.
 

The 25th annual National School on Neutron and X-ray Scattering was held August 6–18. Each year, graduate students visit Oak Ridge and Argonne National Laboratories to learn how to use neutrons and X-rays to study energy and materials. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

In 2023, the National School on X-ray and Neutron Scattering, or NXS, marked its 25th year during its annual program, held August 6–18 at the Department of Energy’s Oak Ridge and Argonne National Laboratories.