Symplectic integration methods in molecular and spin dynamics simulations

Abstract

We review recently developed decomposition algorithms for molecular dynamics and spin dynamics simulations of many-body systems. These methods are time reversible, symplectic, and the error in the total energy thus generated is bounded. In general, these techniques are accurate for much larger time steps than more standard integration methods. Illustrations of decomposition algorithms performance are shown for spin dynamics simulations of a Heisenberg ferromagnet.