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。
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。
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。