论文标题
高孔上的分子动力学的符号积分器
A symplectic integrator for molecular dynamics on a hypersphere
论文作者
论文摘要
我们提出了一种称为Roll的可逆且符合性的算法，用于将运动方程组合在Hypersphere $ \ Mathcal $ \ Mathcal {s}^d $的分子动力学模拟中。它衍生在几何代数的框架中，在数学上与算法拨浪面相等。简要讨论了一种分子动力学模拟的分子动力学模拟。
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.
