聚合物
统计物理学
蒙特卡罗方法
布朗桥
布朗运动
布朗动力学
形式主义(音乐)
采样(信号处理)
能源景观
玻尔兹曼常数
经典力学
物理
数学
热力学
统计
量子力学
光学
探测器
艺术
视觉艺术
核磁共振
音乐剧
作者
Shiyan Wang,Doraiswami Ramkrishna,Vivek Narsimhan
摘要
The equilibrium conformation of a polymer molecule in an external field is often used in field theories to calculate macroscopic polymer properties of melts and solutions. We use a mathematical method called a Brownian bridge to exactly sample continuous polymer chains to end in a given state. We show that one can systematically develop such processes to sample specific polymer topologies, to confine polymers in a given geometry for its entire path, to efficiently generate high-probability conformations by excluding small Boltzmann weights, or to simulate rare events in a rugged energy landscape. This formalism can improve the polymer sampling efficiency significantly compared to traditional methods (e.g., Monte Carlo or Rosenbluth).
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