Comparison of the Ewald and Wolf methods for modeling electrostatic interactions in nanowires

DOI10.1002/NME.2948MaRDI QIDQ3065660zbMATH OpenOpenAlexWikidataFDO

Authors E. E. Gdoutos, Ravi P. Agrawal, H. D. Espinosa

Publication date 6 January 2011

Published in International Journal for Numerical Methods in Engineering (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1002/nme.2948

zbMATH Keywords

Ewald summationlong-range interactionsnanowiresWolf summation

Mathematics Subject Classification ID

Electro- and magnetostatics (78A30)

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Cites work

• Fast parallel algorithms for short-range molecular dynamics

Cited in

(2)

• Modified Wolf electrostatic summation: Incorporating an empirical charge overlap
• Finite element model of ionic nanowires with size-dependent mechanical properties determined by ab initio calculations

Describes a project that uses

Uses Software

• CHARMM

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