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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. 

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.

 

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.

ORNL scientists developed a method that improves the accuracy of the CRISPR Cas9 gene editing tool used to modify microbes for renewable fuels and chemicals production. This research draws on the lab’s expertise in quantum biology, artificial intelligence and synthetic biology. Credit: Philip Gray/ORNL, U.S. Dept. of Energy

Scientists at ORNL used their expertise in quantum biology, artificial intelligence and bioengineering to improve how CRISPR Cas9 genome editing tools work on organisms like microbes that can be modified to produce renewable fuels and chemicals.

Hilda Klasky

Hilda Klasky, an R&D staff member in the Scalable Biomedical Modeling group at ORNL, has been selected as a senior member of the Association of Computing Machinery, or ACM.

The Department of Energy’s Oak Ridge National Laboratory announced the establishment of its Center for AI Security Research, or CAISER, to address threats already present as governments and industries around the world adopt artificial intelligence and take advantage of the benefits it promises in data processing, operational efficiencies and decision-making. Credit: Rachel Green/ORNL, U.S. Dept. of Energy

The Department of Energy’s Oak Ridge National Laboratory announced the establishment of the Center for AI Security Research, or CAISER, to address threats already present as governments and industries around the world adopt artificial intelligence and take advantage of the benefits it promises in data processing, operational efficiencies and decision-making.

Steven Hamilton, an R&D scientist in the HPC Methods for Nuclear Applications group at ORNL, leads the ExaSMR project. ExaSMR was developed to run on the Oak Ridge Leadership Computing Facility’s exascale-class supercomputer, Frontier. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

The Exascale Small Modular Reactor effort, or ExaSMR, is a software stack developed over seven years under the Department of Energy’s Exascale Computing Project to produce the highest-resolution simulations of nuclear reactor systems to date. Now, ExaSMR has been nominated for a 2023 Gordon Bell Prize by the Association for Computing Machinery and is one of six finalists for the annual award, which honors outstanding achievements in high-performance computing from a variety of scientific domains.  

Clouds of gray smoke in the lower left are funneled northward from wildfires in Western Canada, reaching the edge of the sea ice covering the Arctic Ocean. A second path of thick smoke is visible at the top center of the image, emanating from wildfires in the boreal areas of Russia’s Far East, in this image captured on July 13, 2023. Credit: NASA MODIS

Wildfires have shaped the environment for millennia, but they are increasing in frequency, range and intensity in response to a hotter climate. The phenomenon is being incorporated into high-resolution simulations of the Earth’s climate by scientists at the Department of Energy’s Oak Ridge National Laboratory, with a mission to better understand and predict environmental change.

Tristen Mullins. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Tristen Mullins enjoys the hidden side of computers. As a signals processing engineer for ORNL, she tries to uncover information hidden in components used on the nation’s power grid — information that may be susceptible to cyberattacks.

ORNL seismic researcher Chengping Chai placed seismic sensors on the ground at various distances from an ORNL nuclear reactor to learn whether they could detect its operating state. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Like most scientists, Chengping Chai is not content with the surface of things: He wants to probe beyond to learn what’s really going on. But in his case, he is literally building a map of the world beneath, using seismic and acoustic data that reveal when and where the earth moves.