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Advanced AI links atomic structure to quantum tech

Advanced AI links atomic structure to quantum tech | ORNL
A scanning tunneling microscope and machine learning algorithm autonomously search for atomic structures. This image shows a vacancy defect on europium zinc arsenide. Credit: Ganesh Narasimha/ORNL, U.S. Dept. of Energy

A research team led by Oak Ridge National Laboratory has developed a new method to uncover the atomic origins of unusual material behavior. This approach uses Bayesian deep learning, a form of artificial intelligence that combines probability theory and neural networks to analyze complex datasets with exceptional efficiency.

The technique reduces the amount of time needed for experiments. It helps researchers explore sample regions widely and rapidly converge on important features that exhibit interesting properties.

"This method makes it possible to study a material's properties with much greater efficiency," said ORNL's Ganesh Narasimha. "Usually, we would need to scan a large region, and then several small regions, and perform spectroscopy, which is very time-consuming. Here, the AI algorithm takes control and does this process automatically and intelligently."

The study explored europium zinc arsenide, a magnetic semimetal known for its unique electronic behaviors; however, the method is generalizable across a wide variety of materials.

Using advanced scanning tunneling microscopy, the researchers unveiled connections between atomic structures and electronic properties. This streamlined approach simplifies the discovery process and advances the nation's capabilities related to artificial intelligence and quantum science.

The full findings are in npj Computational Materials.

More information: Ganesh Narasimha et al, Uncovering multiscale structure-property correlations via active learning in scanning tunneling microscopy, npj Computational Materials (2025).

Journal information: npj Computational Materials

Citation: Advanced AI links atomic structure to quantum tech (2025, September 18) retrieved 27 September 2025 from /news/2025-09-advanced-ai-links-atomic-quantum.html
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