论文标题
纠缠聚合物的分子动力学模拟的降低计算模型
Reduced-Order Computational Model for the Molecular Dynamics Simulation of Entangled Polymers
论文作者
论文摘要
我们提出了一种用于纠缠聚合物系统的分子动力学模拟的新的降序计算方法。聚合物链被建模为连续的高斯链。我们的算法基于分子动力学仿真方法的应用到链的傅立叶模式的伪谱表示。
We present a new reduced-order computational method for the molecular dynamics simulation of entangled polymer systems. The polymer chains are modeled as continuous Gaussian chains. Our algorithm is based on the application of the molecular dynamics simulation method to the pseudospectral representation of the Fourier modes of the chains.
