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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. 

A collaboration between Oak Ridge National Laboratory and Caterpillar Inc. will investigate using methanol as an alternative fuel source for marine vessels. Members of the research team kicked off the project with the installation of a 6-cylinder engine at the Department of Energy’s National Transportation Research Center at ORNL.

ORNL and Caterpillar Inc. have entered into a cooperative research and development agreement, or CRADA, to investigate using methanol as an alternative fuel source for four-stroke internal combustion marine engines.

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.

 

A small droplet of water is suspended in midair via an electrostatic levitator that lifts charged particles using an electric field that counteracts gravity. Credit: Iowa State University/ORNL, U.S. Dept. of Energy

How do you get water to float in midair? With a WAND2, of course. But it’s hardly magic. In fact, it’s a scientific device used by scientists to study matter.

ORNL researchers Lu Yu and Yaocai Bai examine vials that contain a chemical solution that causes the cobalt and lithium to separate from a spent battery, followed by a second stage when cobalt precipitates in the bottom. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Used lithium-ion batteries from cell phones, laptops and a growing number of electric vehicles are piling up, but options for recycling them remain limited mostly to burning or chemically dissolving shredded batteries.

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.

ORNL scientists developed a method that improves the accuracy of the CRISPR Cas9 gene editing tool used to modify microbes for renewable fuels and chemicals production. This research draws on the lab’s expertise in quantum biology, artificial intelligence and synthetic biology. Credit: Philip Gray/ORNL, U.S. Dept. of Energy

Scientists at ORNL used their expertise in quantum biology, artificial intelligence and bioengineering to improve how CRISPR Cas9 genome editing tools work on organisms like microbes that can be modified to produce renewable fuels and chemicals.

Seeing the difference Ac-225 could make to cancer patients made Raina Setzer want to come to ORNL to directly work with the isotope. Credit: Allison Peacock/ORNL, U.S. Dept. of Energy

Raina Setzer knows the work she does matters. That’s because she’s already seen it from the other side. Setzer, a radiochemical processing technician in Oak Ridge National Laboratory’s Isotope Processing and Manufacturing Division, joined the lab in June 2023.

Oak Ridge National Laboratory researchers took a connected and automated vehicle out of the virtual proving ground and onto a public road to determine energy savings when it is operated under predictive control strategies. Credit: ORNL, U.S. Dept. of Energy

ORNL researchers  determined that a connected and automated vehicle, or CAV, traveling on a multilane highway with integrated traffic light timing control can maximize energy efficiency and achieve up to 27% savings.