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Huajie Chen, Christoph Ortner. QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model. Multiscale Modeling & Simulation, 14(1):232-264, 2016. [doi]
Possibly Related PublicationsThe following publications are possibly variants of this publication: QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM ModelsHuajie Chen, Christoph Ortner, Yangshuai Wang. mmas, 20(4):1490-1518, December 2022. [doi] QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-MixingHuajie Chen, Christoph Ortner. mmas, 15(1):184-214, 2017. [doi]
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