Optimized Forest-Ruth- and Suzuki-like algorithms for integration of motion in many-body systems (Q1613766)

The fourth-order Forest-Ruth-like algorithms and Suzuki-like algorithms for numerical integration of equations of motion in molecular dynamics or in celestial mechanics are improved by the extension of the decomposition scheme, the introduction of extra evolution subpropagators, and by the subsequent determination of introduced new parameters through the minimization of truncation terms. The derived new explicit symplectic integrators improved by an order of magnitude illustrate the solution accuracy for similar CPU times. Application refers to a Lennard-Jones fluid.