分子模拟方法及在高聚物中的应用

Molecular Simulation Methods and Its Applications in Polymer

评述了四种常用的分子模拟方法:量子力学法、蒙特卡洛法、分子力学法和分子动态法。四种方法各有优势,共同成为分子模拟的组成部分。综述了分子模拟法在高聚物中的应用,最后介绍了分子模拟的发展趋势。

In this article,we describe four general molecular simulation methods:quan- tum mechanics method. Monte Carlo method,molecular mechanics method and molecular dyna-mics method. Each has its own advantage. Combine with each other as a whole. Additionally,we review the application of molecular simulation in polymers. Finally,we introduce the development direction of molecular simulation