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3 unusual facts about Ewald summation


Ewald

The Ewald summation, a method for computing the interaction energies of periodic systems

Ewald summation

Ewald summation, named after Paul Peter Ewald, is a method for computing the interaction energies of periodic systems (e.g. crystals), particularly electrostatic energies.

The Ewald summation was developed by Paul Peter Ewald in 1921 (see References below) to determine the electrostatic energy (and, hence, the Madelung constant) of ionic crystals.


Periodic boundary conditions

PBC can be used in conjunction with Ewald summation methods (usually particle mesh Ewald) of accounting for electrostatic forces in the system.


see also