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AI Model Predicts New Metal-Doped Compounds with Enhanced Mechanical Properties

Summary by Phys.org
A research team from Skoltech, AIRI, Tomsk Polytechnic University, and Sber has proposed and tested an approach to predicting the modification of material properties. Artificial intelligence models that were pre-trained on a small amount of data enabled a significant increase in the calculation of the formation energies in possible configurations of higher tungsten boride doped with other metals.

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The history of humanity is inseparably linked to the discovery and use of new materials – from the Stone Age to the Bronze and Iron Age to the Silicon Age. Each epoch was shaped by materials that enabled new technologies and social upheavals. Today, we are at the threshold of a further revolution driven by the rapid development of artificial intelligence (AI). In particular, methods of machine learning (ML) begin to fundamentally change the way …

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NerdsWire. broke the news in on Wednesday, June 4, 2025.
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