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。
With the rapid development of statistic mechanics theory and computer technology, computer molecular simulation has became a powerful tool to study the fluid in molecular level.
随着统计力学理论和计算机技术的飞速发展，计算机分子模拟已经成为在分子水平上研究流体的一种强有力工具。
We investigate in this paper the mechanism of energy transfer in homonuclear diatomic molecular solid system by the computer simulation with molecular dynamical method.
本文应用分子动力学计算机模拟方法研究同核双原子分子晶体体系的内部传能机制。
This paper summarizes the current situation of study on insects' compound eye from morphology, physiology, optics, bionics, computer simulation, molecular biology.
从形态学、生理学、光学、仿生学和计算机模拟、分子生物学等方面对昆虫复眼研究的现状进行了简要综述。
With the development of computer science and technology, the research on the molecular simulation with the high performance computing and the new algorithm are becoming a new hot topic.
随着计算机技术的迅猛发展，应用高性能计算和一些新的算法进行分子模拟的研究已经成为一个新的研究方向。
The results are in accord with computer-aided molecular simulation.
所得结论与计算机分子模拟结果一致。
The basic methods of both molecular modeling and computer simulation are briefly introduced and the specific codes for three sections (data input, moving atom and data output) are given.
简要地介绍了分子建模与计算机模拟的基本方法并给出了数据读入、移动原子、数据输出三部分的具体实现代码。
The basic methods of both molecular modeling and computer simulation are briefly introduced and the specific codes for three sections (data input, moving atom and data output) are given.
简要地介绍了分子建模与计算机模拟的基本方法并给出了数据读入、移动原子、数据输出三部分的具体实现代码。
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