A symplectic integrator for molecular dynamics on a hypersphere

Abstract

We present a reversible and symplectic algorithm called ROLL, for integrating the equations of motion in molecular dynamics simulations of simple fluids on a hypersphere ${\mathcal{S}}^d$ of arbitrary dimension $d$. It is derived in the framework of geometric algebra and shown to be mathematically equivalent to algorithm RATTLE. An application to molecular dynamics simulation of the one component plasma is briefly discussed.

15 pages, 1 figure

References in corpus (1)

• Dynamics of a monodisperse Lennard-Jones system on a sphere

Cited by in corpus (1)

• One--Component Plasma of a Million Particles via angular--averaged Ewald potential: A Monte Carlo study