computer-aided molecular simulation 计算机辅助分子模拟
molecular dynamics computer simulation 分子动力学计算机模拟
molecular simulation on computer 计算机分子模拟
The paper USES computer molecular simulation technology and studies the Humul coal inertinite structure on the molecular scale.
采用计算机分子模拟技术，在分子尺度上研究了哈密惰质组结构性质。
One of both experimental and the computer molecular simulation can not meet the demands of the study on the supporting mechanism.
指出将实验方法和计算机分子模拟方法二者结合起来， 能够加快研究进程。
In this paper, we first introduced computer molecular simulation status and development trend of materials computation with computer molecular simulation.
本论文首先介绍了计算机分子模拟，以及计算机分子模拟下的材料计算的现状及发展趋势。
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