English

A symplectic integrator for molecular dynamics on a hypersphere

Computational Physics 2020-05-26 v2 Statistical Mechanics

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 Sd\mathcal{S}^d of arbitrary dimension dd. 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.

Keywords

Cite

@article{arxiv.2003.02600,
  title  = {A symplectic integrator for molecular dynamics on a hypersphere},
  author = {J. -M. Caillol},
  journal= {arXiv preprint arXiv:2003.02600},
  year   = {2020}
}

Comments

15 pages, 1 figure

R2 v1 2026-06-23T14:04:57.505Z