Molecular and spin dynamics simulations using modern integration methods

Decomposition algorithms have proven useful for molecular dynamics and spin dynamics simulations of many-body systems. These methods are time reversible, symplectic, and the error in the total energy is bounded. In general, these techniques are accurate for much larger time steps than more standard integration methods. We review these decomposition algorithms and illustrate their performance for simulations of a Heisenberg ferromagnet. [DOI: 10.1119/1.1900096]