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A smart approach to microscopy and imaging developed at Oak Ridge National Laboratory could drive discoveries in materials for future technologies. Credit: Adam Malin/ORNL, U.S. Dept. of Energy

Researchers at ORNL are teaching microscopes to drive discoveries with an intuitive algorithm, developed at the lab’s Center for Nanophase Materials Sciences, that could guide breakthroughs in new materials for energy technologies, sensing and computing.

Oak Ridge National Laboratory researchers used an invertible neural network, a type of artificial intelligence that mimics the human brain, to select the most suitable materials for desired properties, such as flexibility or heat resistance, with high chemical accuracy. The study could lead to more customizable materials design for industry.

A study led by researchers at ORNL could help make materials design as customizable as point-and-click.

Using quantum Monte Carlo methods, the researchers simulated bulk VO2. Yellow and turquoise represent changes in electron density between the excited and ground states of a compound composed of oxygen, in red, and vanadium, in blue, which allowed them to evaluate how an oxygen vacancy, in white, can alter the compound’s properties. Credit: Panchapakesan Ganesh/ORNL, U.S. Dept. of Energy

Neuromorphic devices — which emulate the decision-making processes of the human brain — show great promise for solving pressing scientific problems, but building physical systems to realize this potential presents researchers with a significant