QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models
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Publication:6109117
DOI10.1137/21m1441122zbMath1514.81006arXiv2106.14559OpenAlexW3176317624MaRDI QIDQ6109117
Huajie Chen, Yangshuai Wang, Christoph Ortner
Publication date: 30 June 2023
Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2106.14559
Error bounds for boundary value problems involving PDEs (65N15) Stability and convergence of numerical methods for boundary value problems involving PDEs (65N12) Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45)
Related Items (3)
Elastic Far-Field Decay from Dislocations in Multilattices ⋮ Efficient a posteriori error control of a concurrent multiscale method with sharp interface for crystalline defects ⋮ A theoretical case study of the generalization of machine-learned potentials
Cites Work
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