Ewald Method | PME PPPME SPME | Molecular Dynamics MD | Molecular Monte Carlo MC

The Ewald Method is a smart way to deal with long term interactions (coulombic interactions) of a system using periodic boundary conditions PBC. And it is the basis of even faster methods like: particle particle particle mesh ewald PPPME, particle mesh ewald PME, and smooth particle mesh ewald SPME; that differ from the standard Ewald method because they interpolate the charge distribution in direct space in order to use the fast Fourier transform algorithm FFT instead of the slower standard one.


Sources and materials:
Orac Molecular Dynamics (MD) program documentation (FREE download)
http://www.chim.unifi.it/orac/
http://www.chim.unifi.it/orac/orac-ma...

Allen, Michael Patrick, and Dominic J. Tildesley. Computer Simulation of Liquids. 2nd ed., Oxford University Press, 2017.

Frenkel, Daan, and Berend Smit. "Understanding molecular simulation: From algorithms to applications." Computational sciences series 1 (2002): 1-638.

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