Surface passivation optimization using DIRECT

DOI10.1016/J.JCP.2006.10.033zbMath1117.82330OpenAlexW1977868207MaRDI QIDQ886066

Wesley B. Jones, Peter A. Graf, Kwiseon Kim, Lin-Wang Wang

Publication date: 14 June 2007

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2006.10.033

zbMATH Keywords

global optimizationelectronic structurenanostructurepseudopotentialssurface passivation

Mathematics Subject Classification ID

Statistical mechanics of semiconductors (82D37)

Related Items (3)

MDTri: robust and efficient global mixed integer search of spaces of multiple ternary alloys. A DIRECT-inspired optimization algorithm for experimentally accessible computational material design ⋮ Lipschitz gradients for global optimization in a one-point-based partitioning scheme ⋮ A univariate global search working with a set of Lipschitz constants for the first derivative

Cites Work

• Lipschitzian optimization without the Lipschitz constant
• Dynamic data structures for a direct search algorithm
• Parallel empirical pseudopotential electronic structure calculations for million atom systems
• A genetic algorithm based inverse band structure method for semiconductor alloys
• Introduction to evolutionary computing

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