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。
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。
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