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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.

ORNL’s Climate Change Science Institute and Georgia Tech co-hosted a Southeast Decarbonization Workshop in November 2023. Credit: ORNL, U.S. Dept. of Energy

ORNL's Climate Change Science Institute and the Georgia Institute of Technology hosted a Southeast Decarbonization Workshop in November that drew scientists and representatives from government, industry, non-profits and other organizations to 

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.

red and green sphagnum moss

A type of peat moss has surprised scientists with its climate resilience: Sphagnum divinum is actively speciating in response to hot, dry conditions. 

Attendees of SMC23 pose for their annual group photo in downtown Knoxville, TN.

ORNL hosted its annual Smoky Mountains Computational Sciences and Engineering Conference in person for the first time since the COVID-19 pandemic.

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.

Steve Nolan, left, who manages many ORNL facilities for United Cleanup Oak Ridge, and Carl Dukes worked closely together to accommodate bringing members of the public into the Oak Ridge Reservation to collect distant images from overhead for the BRIAR biometric recognition project. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Carl Dukes’ career as an adept communicator got off to a slow start: He was about 5 years old when he spoke for the first time. “I’ve been making up for lost time ever since,” joked Dukes, a technical professional at the Department of Energy’s Oak Ridge National Laboratory.

Researchers used the open-source Community Earth System Model to simulate the effects that extreme climatic conditions have on processes like land carbon storage. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Researchers from Oak Ridge National Laboratory and Northeastern University modeled how extreme conditions in a changing climate affect the land’s ability to absorb atmospheric carbon — a key process for mitigating human-caused emissions. They found that 88% of Earth’s regions could become carbon emitters by the end of the 21st century.