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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. 

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.

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.

Tomonori Saito, Oak Ridge National Laboratory’s Inventor of the Year, was honored at Battelle’s Celebration of Solvers. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Tomonori Saito, a distinguished innovator in the field of polymer science and senior R&D staff member at ORNL, was honored on May 11 in Columbus, Ohio, at Battelle’s Celebration of Solvers.

Each dot represents a Twitterer discussing COVID-19 from April 16 to April 22, 2021. The closer the dots are to the center, the greater the influence. The brighter the color, the stronger the intent. Image credit: ORNL

Using disinformation to create political instability and battlefield confusion dates back millennia. However, today’s disinformation actors use social media to amplify disinformation that users knowingly or, more often, unknowingly perpetuate. Such disinformation spreads quickly, threatening public health and safety. Indeed, the COVID-19 pandemic and recent global elections have given the world a front-row seat to this form of modern warfare.

Jeff Foster, Distinguished Staff Fellow at Oak Ridge National Laboratory, is looking for ways to control polymer sequencing for a variety of uses. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Chemist Jeff Foster is looking for ways to control sequencing in polymers that could result in designer molecules to benefit a variety of industries, including medicine and energy.

From left are UWindsor students Isabelle Dib, Dominik Dziura, Stuart Castillo and Maksymilian Dziura at ORNL’s Neutron Spin Echo spectrometer. Their work advances studies on a natural cancer treatment. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

A scientific instrument at ORNL could help create a noninvasive cancer treatment derived from a common tropical plant.

The ORNL researchers’ findings may enable better detection of uranium tetrafluoride hydrate, a little-studied byproduct of the nuclear fuel cycle, and better understanding of how environmental conditions influence the chemical behavior of fuel cycle materials. Credit: Kevin Pastoor/Colorado School of Mines

ORNL researchers used the nation’s fastest supercomputer to map the molecular vibrations of an important but little-studied uranium compound produced during the nuclear fuel cycle for results that could lead to a cleaner, safer world.

ORNL, VA and Harvard researchers developed a sparse matrix full of anonymized information on what is thought to be the largest cohort of healthcare data used for this type of research in the U.S. The matrix can be probed with different methods, such as KESER, to gain new insights into human health. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy

A team of researchers has developed a novel, machine learning–based  technique to explore and identify relationships among medical concepts using electronic health record data across multiple healthcare providers.

Oak Ridge National Laboratory researchers used an invertible neural network, a type of artificial intelligence that mimics the human brain, to select the most suitable materials for desired properties, such as flexibility or heat resistance, with high chemical accuracy. The study could lead to more customizable materials design for industry.

A study led by researchers at ORNL could help make materials design as customizable as point-and-click.