A sublinear-scaling approach to density-functional-theory analysis of crystal defects
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Publication:2119163
DOI10.1016/j.jmps.2016.05.029zbMath1482.74052OpenAlexW2398780742MaRDI QIDQ2119163
M. Ponga, Michael Ortiz, Kaushik Bhattacharya
Publication date: 23 March 2022
Published in: Journal of the Mechanics and Physics of Solids (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jmps.2016.05.029
Related Items (4)
Large scale \textit{ab-initio} simulations of dislocations ⋮ Spectral quadrature for the first principles study of crystal defects: application to magnesium ⋮ A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods ⋮ Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
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