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1·In the computer simulations, the Discrete Molecular Dynamics (DMD) method was induced.

在计算机模拟方面，我们引入了离散分子动力学(DMD)方法。

2·Nuclear magnetic resonance has proved to be very useful in studying molecular dynamics.

核磁共振波谱学在动力学研究上具有非常独特的优势。

3·Cyclic mapping and reduction recursive bisection method were used to parallel the molecular dynamics.

分别用循环映射法和简化递归对剖法实现了分子动力学的并行计算。

4·In this paper molecular dynamics (MD) simulation was applied to validate COMPASS force field for HMX.

首先通过分子动力学(MD)模拟考察了COMPASS力场对HMX的适用性。

5·The rheological behavior of nanometer-thick liquid film has been predicted by Molecular Dynamics Simulation.

本文以分子动力学方法模拟了纳米级液体薄膜的流变特性。

6·The work here is purely theoretical and uses a molecular dynamics forcefield with an imperfect model of water behavior.

他们的工作纯粹是理论上的，并且使用了一个水分子模型有缺陷的分子动力学力场。

7·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。

8·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。

9·The aluminum and carbon clusters impacting on gold thin films have been studied by molecular dynamics (MD) simulation.

本文基于分子动力学模拟研究铝原子簇和碳原子簇轰击金薄膜的碰撞级联过程。

10·It was discovered that this kind of calculation method can make molecular dynamics calculation quickly about 2.5 times.

发现使用这种计算方法，可使分子动力学计算加快约2.5倍。