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Prescreening Point Defects in Semiconductors With Machine Learning

Karlsson, Paul et al.
arXiv (OAI Expanded) · Papers
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materials-science
High-throughput calculations using density-functional theory (DFT) are commonly used to explore point defects for applications in power electronics and quantum technologies. There is currently a major shift away from these traditional simulation techniques towards machine learning (ML) methods. We e
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