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Grain Boundary Engineering in Nickel-Rich Cathode: A Combination of High-Throughput First-Principle and Interpretable Machine Learning Study

https://doi.org/10.2139/ssrn.4684972
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Special points for Brillouin-zone integrations
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Projector augmented-wave method
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Coincidence-site lattices
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Grain Boundary Strengthening in Alumina by Rare Earth Impurities
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XGBoost
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Interpretable machine learning
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