2 papers
math.NA2017
A comparison of the Spectral Ewald and Smooth Particle Mesh Ewald methods in GROMACS
Davood Saffar Shamshirgar, Berk Hess, Anna-Karin Tornberg
The smooth particle mesh Ewald (SPME) method is an FFT based method for the fast evaluation of electrostatic interactions under periodic boundary conditions. A highly optimized imp…
math.NA2017
Fast Ewald summation for electrostatic potentials with arbitrary periodicity
Davood Saffar Shamshirgar, Joar Bagge, Anna-Karin Tornberg
A unified treatment for fast and spectrally accurate evaluation of electrostatic potentials subject to periodic boundary conditions in any or none of the three spatial dimensions i…