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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. 

INFUSE logo

ORNL is leading three research collaborations with fusion industry partners through the Innovation Network for FUSion Energy, or INFUSE, program that will focus on resolving technical challenges and developing innovative solutions to make practical fusion energy a reality.  

Gina Tourassi. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy 

Effective Dec. 4, Gina Tourassi will assume responsibilities as associate laboratory director for the Computing and Computational Sciences Directorate at the Department of Energy’s Oak Ridge National Laboratory.

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.

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Waiting for answers surrounding a healthcare condition can be as stressful as the condition itself. Maria Mahbub, a research collaborator at Oak Ridge National Laboratory, is developing technology that could help providers and patients get answers sooner.

Sarah Walters portrait

Walters is working with a team of geographers, linguists, economists, data scientists and software engineers to apply cultural knowledge and patterns to open-source data in an effort to document and report patterns of human movement through previously unstudied spaces.

: This schematic of tokamak core-pedestal-boundary regions show what will be simulated by an ORNL project applying machine learning to plasma physics modeling. Credit: Giacomin et al., J. Comput. Phys., 463, (2022) 111294, https://doi.org/10.1016/j.jcp.2022.11294

ORNL will lead three new DOE-funded projects designed to bring fusion energy to the grid on a rapid timescale.

The ORNL DAAC gathers, processes, archives and distributes information on key land processes, including the shifting ecological and geomorphological features of the U.S. Atchafalaya and Terrebonne basins gathered by the NASA Delta-X mission shown here. Credit: NASA Delta-X

In 1993 as data managers at ORNL began compiling observations from field experiments for the National Aeronautics and Space Administration, the information fit on compact discs and was mailed to users along with printed manuals.

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.