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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. 

Image of circuitry representing AI.

Research performed by a team, including scientists from ORNL and Argonne National Laboratory, has resulted in a Best Paper Award at the 19th IEEE International Conference on eScience.

Naval Academy midshipmen look at tiny particle fuels while touring ORNL. Credit: Lena Shoemaker/ORNL, U.S. Dept. of Energy

Nuclear engineering students from the United States Military Academy and United States Naval Academy are working with researchers at ORNL to complete design concepts for a nuclear propulsion rocket to go to space in 2027 as part of the Defense Advanced Research Projects Agency DRACO program.

Frontier’s exascale power enables the Simple Cloud-Resolving E3SM Atmosphere Model to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Ben Hillman/Sandia National Laboratories, U.S. Dept. of Energy

A 19-member team of scientists from across the national laboratory complex won the Association for Computing Machinery’s 2023 Gordon Bell Special Prize for Climate Modeling for developing a model that uses the world’s first exascale supercomputer to simulate decades’ worth of cloud formations.

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.

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.  

Eric Nafziger, a technical staff member at the National Transportation Research Center at Oak Ridge National Laboratory’s Hardin Valley Campus, supports the installation of the largest alternative fuels research engines for marine and rail in the U.S. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Within the Department of Energy’s National Transportation Research Center at ORNL’s Hardin Valley Campus, scientists investigate engines designed to help the U.S. pivot to a clean mobility future.

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.

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.

Frontier, the fastest supercomputer in the world, provides expansive and energy-efficient power, which gives scientists the capability to train large AI models in a responsible way.

ORNL is home to the world's fastest exascale supercomputer, Frontier, which was built in part to facilitate energy-efficient and scalable AI-based algorithms and simulations.