论文标题
基于蒙特卡洛模拟的双重链接列表的单元列表方法
Cell Lists Method Based on Doubly Linked Lists for Monte Carlo Simulation
论文作者
论文摘要
基于双重链接列表和复杂性O（n）的单元列表方法是用于粒子缺失和插入反应集合蒙特卡洛模拟中的。因为可以将大都市算法中的随机移动简化为旧位置的粒子缺失，在新位置处粒子插入，因此该方法也可以在大都市算法中使用。此外，非本地移动，在蒙特卡洛模拟聚合物中常见的聚合物，例如扭结，枢轴，枢轴，振兴移动以及构型偏见的蒙特卡洛的链条和重新生成和重新生成，因为这些非局部移动中的大型位移会导致Verlet cutelet cutoff cutoff cutoff cutoff cutoff cutoff radius。因此，我们还使用基于双重链接列表的细胞列表方法在本研究中实现非本地运动。
A cell lists method based on doubly linked lists and with complexity O(N) is developed for particle deletion and insertion in reaction ensemble Monte Carlo simulation. Because the random move in Metropolis algorithm can be reduced to particle deletion at old position and particle insertion at new position, so this method can be also used in Metropolis algorithm. In addition, nonlocal move, common in Monte Carlo simulation of polymers, such as kink-jump, pivot, reptation move and the retrace and regrow of chains in configurational biased Monte Carlo often cause the failure of Verlet lists method because the large displacement in these nonlocal moves will exceed Verlet cutoff radius. So we also use cell lists method based on doubly linked lists to achieve nonlocal move in this study.
