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

DOI10.1002/NME.2948zbMATH Open1202.78009OpenAlexW2019406266WikidataQ56932989 ScholiaQ56932989MaRDI QIDQ3065660FDOQ3065660

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

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zbMATH Keywords

long-range interactionsEwald summationnanowiresWolf summation

Mathematics Subject Classification ID

Electro- and magnetostatics (78A30)

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

Uses Software

• CHARMM

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