A posteriori error estimate and adaptivity for QM/MM models of crystalline defects (Q6566079)
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scientific article; zbMATH DE number 7875036
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| English | A posteriori error estimate and adaptivity for QM/MM models of crystalline defects |
scientific article; zbMATH DE number 7875036 |
Statements
A posteriori error estimate and adaptivity for QM/MM models of crystalline defects (English)
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3 July 2024
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QM/MM coupling
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machine-learned interatomic potentials
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a posteriori error estimate
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adaptive algorithm
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crystal defects
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