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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. 

Madhavi Martin portrait image

Madhavi Martin brings a physicist’s tools and perspective to biological and environmental research at the Department of Energy’s Oak Ridge National Laboratory, supporting advances in bioenergy, soil carbon storage and environmental monitoring, and even helping solve a murder mystery.

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.

CFM’s RISE open fan engine architecture. Image: GE Aerospace

To support the development of a revolutionary new open fan engine architecture for the future of flight, GE Aerospace has run simulations using the world’s fastest supercomputer capable of crunching data in excess of exascale speed, or more than a quintillion calculations per second.

Researchers Melissa Cregger, left, and Xiaohan Yang examine plants in an ORNL greenhouse where biosensors are installed to accelerate plant transformations. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy.

Nature-based solutions are an effective tool to combat climate change triggered by rising carbon emissions, whether it’s by clearing the skies with bio-based aviation fuels or boosting natural carbon sinks.

Samantha Peters co-designed and conducted experiments using ORNL’s high-performance mass spectrometry techniques to prove that bacteriophages deploy genetic code-switching to overwhelm and destroy host bacteria. Credit: Genevieve Martin, ORNL/U.S. Dept. of Energy

Scientists at ORNL have confirmed that bacteria-killing viruses called bacteriophages deploy a sneaky tactic when targeting their hosts: They use a standard genetic code when invading bacteria, then switch to an alternate code at later stages of

ORNL’s Adam Guss and colleagues used synthetic biology to develop a custom microbe capable of converting deconstructed mixed plastic waste into valuable new materials. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Scientists working on a solution for plastic waste have developed a two-step chemical and biological process to break down and upcycle mixed plastics into valuable bioproducts.

ORNL’s Tomás Rush explores the secret lives of fungi and plants for insights into the interactions that determine plant health. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Tomás Rush began studying the mysteries of fungi in fifth grade and spent his college intern days tromping through forests, swamps and agricultural lands searching for signs of fungal plant pathogens causing disease on host plants.

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.

Scientists at ORNL have created a rhizosphere-on-a-chip research platform, a miniaturized environment to study the ecosystem around poplar tree roots for insights into plant health and soil carbon sequestration. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Scientists at ORNL have created a miniaturized environment to study the ecosystem around poplar tree roots for insights into plant health and soil carbon sequestration.