A Simple Efficient Molecular Dynamics Scheme for Evaluating Electrostatic Interaction of Particle Systems

摘要

We present results from a recently developed new molecular dynamics method to calculate electrostatic interaction of point particle systems. This method is very simple, which is based on the charge neutralized pairwise summation developed by Wolf et al., while solves problems presented in previous similar approaches and consistently gives the force, potential, and the total energy of the system.