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。

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。

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。

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。

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。