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。
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。
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