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

long-range interactionsEwald summationnanowiresWolf summation

Mathematics Subject Classification ID

Electro- and magnetostatics (78A30)

Recommendations

• Modified Wolf electrostatic summation: Incorporating an empirical charge overlap
• Ewald summation techniques in perspective: A survey
• Numerical investigation of electrostatic interactions in nanoscale substances based on finite-size particle simulation
• An optimized Ewald method for long-ranged potentials
• Taming the Ewald sum in the computer simulation of charged systems

Cites work

• Fast parallel algorithms for short-range molecular dynamics

Cited in

(2)

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

Describes a project that uses

Uses Software

• CHARMM

This page was built for publication: Comparison of the Ewald and Wolf methods for modeling electrostatic interactions in nanowires

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3065660)