Engineering and Technologynpj Computational Materials
Machine-learning structural reconstructions for accelerated point defect calculations
I. Mosquera-lois, S. R. Kavanagh, et al.
Discover how Irea Mosquera-Lois, Seán R. Kavanagh, Alex M. Ganose, and Aron Walsh have leveraged machine-learning to revolutionize the analysis of defects in materials. Their innovative approach predicts stable geometries for neutral point defects with a remarkable success rate, drastically reducing computational costs and accelerating research in complex systems.
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