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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.

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. 

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The Oak Ridge Leadership Computing Facility, a Department of Energy Office of Science user facility at ORNL, is pleased to announce a new allocation program for computing time on the IBM AC922 Summit supercomputer.

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.

top view of cicada wing

Over the past decade, teams of engineers, chemists and biologists have analyzed the physical and chemical properties of cicada wings, hoping to unlock the secret of their ability to kill microbes on contact. If this function of nature can be replicated by science, it may lead to products with inherently antibacterial surfaces that are more effective than current chemical treatments.

3D supernova simulations

As a result of largescale 3D supernova simulations conducted on the Oak Ridge Leadership Computing Facility’s Summit supercomputer by researchers from the University of Tennessee and Oak Ridge National Laboratory, astrophysicists now have the most complete picture yet of what gravitational waves from exploding stars look like. 

Simulations performed on Oak Ridge National Laboratory’s Summit supercomputer generated one of the most detailed portraits to date of how turbulence disperses heat through ocean water under realistic conditions. Credit: Miles Couchman

Simulations performed on the Summit supercomputer at ORNL revealed new insights into the role of turbulence in mixing fluids and could open new possibilities for projecting climate change and studying fluid dynamics.

Artificial intelligence is becoming an increasingly valuable tool for ORNL researchers tackling the many mysteries of cancer. Credit: Getty Images.

A team of researchers from ORNL was recognized by the National Cancer Institute in March for their unique contributions in the fight against cancer.

Shown here is the structure of the NEMO protein. A team from ORNL conducted extensive molecular dynamics work on Summit by using both quantum mechanics and machine-learning methods to look at the binding affinity of NEMO and 3CLpro in humans and other species and to consider the structural models derived from the sequences of other coronaviruses. Image courtesy Nature Communications, Dan Jacobson/ORNL.

A new paper published in Nature Communications adds further evidence to the bradykinin storm theory of COVID-19’s viral pathogenesis — a theory that was posited two years ago by a team of researchers at the Department of Energy’s Oak Ridge National Laboratory.