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In this artist’s conception of the process, an automated deposition system places a new material onto a base material (purple beam, right) as the last sample that was made is analyzed and sent to the AI (green beams, brain, left). The AI tells the pulsed laser deposition machine what to do next (data cable, bottom).
Researchers harness AI for autonomous discovery and optimization of materials
Students gather at a poster session
Students acquire skills at Quantum Science Center
Rectangular box being lifted by a red pully system up the left side of the building
Researchers make ‘green’ floor to replace steel

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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

Computational scientists generate molecular datasets at extreme scale

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. 

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

GE Aerospace runs one of the world’s largest supercomputer simulations to test revolutionary new open fan engine architecture

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.

Oak Ridge National Laboratory led a team of scientists to design a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and future virus outbreaks. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

ORNL-led team designs molecule to disrupt SARS-CoV-2 infection

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory designed a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and other viral diseases.

The Department of Energy’s Office of Science has selected five Oak Ridge National Laboratory scientists for Early Career Research Program awards.

Five ORNL scientists to receive DOE Early Career Research awards

The Department of Energy’s Office of Science has selected five Oak Ridge National Laboratory scientists for Early Career Research Program awards.

This simulation of a fusion plasma calculation result shows the interaction of two counter-streaming beams of super-heated gas. Credit: David L. Green/Oak Ridge National Laboratory, U.S. Dept. of Energy

Fusion – Squeezing the code

The prospect of simulating a fusion plasma is a step closer to reality thanks to a new computational tool developed by scientists in fusion physics, computer science and mathematics at ORNL.