本篇文章中,討論近年來分子動力模擬計算在高分子材料上的研究,並簡單討論各種計算方法及位能函數之優劣,列舉出一些可由分子動力計算得到的材料性質和特性。
This article reviews some applications of molecular dynamics simulation in polymer material. The algorithm and force field are briefly described. The simulated physical and material properties of polymers are discussed.