In this article, we systematically review several general molecular simulation methods: quantum mechanics methods, Monte Carlo method and molecular dynamics method.
常用的分子模拟方法有：量子力学法、分子力学方法、蒙特卡洛法和分子动力学法。
In the second chapter, some computational methods including quantum chemistry method, Molecular Mechanics, Molecular Dynamic simulation, Monte Carlo method and so on, were briefly reviewed.
在第二章中，简要介绍了常用的计算化学方法，主要包括量子化学方法、分子力学、分子动力学和蒙特卡罗等方法。
The effective potential correction was used in 3d Monte Carlo simulation of nanoscale MOSFETs to deal with quantum mechanical effects. A parallel algorithm based on PC clusters was proposed.
为了处理纳米mos场效应管的量子效应，在蒙特卡罗模拟中引入有效势量子修正，并提出了基于PC机群的三维并行模拟算法。
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