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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.

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’s Tyler Spano examines a sample of uranyl nitrate solution that she uses as a precursor to many uranium oxide syntheses. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

The word “exotic” may not spark thoughts of uranium, but Tyler Spano’s investigations of exotic phases of uranium are bringing new knowledge to the nuclear nonproliferation industry.

Distinguished staff fellow Gang Seob “GS” Jung knew from an early age he wanted to be a scientist. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Gang Seob “GS” Jung has known from the time he was in middle school that he was interested in science.

Thomaz Carvalhaes. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

In human security research, Thomaz Carvalhaes says, there are typically two perspectives: technocentric and human centric. Rather than pick just one for his work, Carvalhaes uses data from both perspectives to understand how technology impacts the lives of people.

Logan Sturm, Alvin M. Weinberg Fellow at ORNL, creates a mashup between additive manufacturing and cybersecurity research. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

How an Alvin M. Weinberg Fellow is increasing security for critical infrastructure components

LandScan Global depicts population distribution estimates across the planet. The darker orange and red colors above indicate higher population density. Credit: ORNL, U.S. Dept. of Energy

It’s a simple premise: To truly improve the health, safety, and security of human beings, you must first understand where those individuals are.