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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. 

Image of circuitry representing AI.

Research performed by a team, including scientists from ORNL and Argonne National Laboratory, has resulted in a Best Paper Award at the 19th IEEE International Conference on eScience.

The Frontier exascale supercomputer at Oak Ridge National Laboratory. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

ORNL has joined a global consortium of scientists from federal laboratories, research institutes, academia and industry to address the challenges of building large-scale artificial intelligence systems and advancing trustworthy and reliable AI for

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.

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.

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 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 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.