With such a system one can run short ab initio molecular dynamics simulations for perhaps up to 100 ps.
在这样的体系里面，可以进行一个短的从头算来进行分子动力学模拟，或许可以达到100ps。
The molecular dynamics simulations were adopted to investigate the mechanism of magnetization increasing injection.
采用分子动力学模拟方法，从分子水平对磁化增注的机理进行了模拟研究。
Evaporation and condensation in the liquid vapor coexistent system are studied with molecular dynamics simulations.
采用分子动力学方法研究了气液共存体系的蒸发与凝结现象。
The more detailed introduction was given to the basic principles, processes and methods of molecular dynamics simulations.
比较详细地介绍了分子动力学模拟的基本原理、过程和方法。
With the aid of molecular dynamics simulations, we obtained the proper structure of kinesin's nucleotide-free leading head.
通过分子动力学模拟，得到了处于空态的马达头部的合理结构。
Molecular dynamics simulations are performed to study the growth of diamond_like carbon (DLC) films on the atomic scale.
利用分子动力学模拟方法，从原子尺度上研究了类金刚石（DLC）薄膜生长过程。
Molecular dynamics simulations are performed to study the behaviors of dense carbon dioxide on amorphous silica surface.
稠密二氧化碳在无定形二氧化硅表面行为的分子动力学模拟。
Molecular Dynamics Simulations : Simulating the gyrations that proteins make as they fold has been a combinatorial nightmare.
分子动力学模拟：模拟蛋白质在折叠时的旋转一直是一种组合上的噩梦。
Molecular Dynamics Simulations : Simulating the gyrations that proteins make as they fold has been a combinatorial nightmare.
分子动力学模拟：模拟蛋白质在折叠时的旋转一直是一种组合上的噩梦。
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