Molecular Simulation And Dynamics的意思|示意

In this work, the theoretic methods including group contribution method and molecular dynamics simulation are used to estimate the properties of high-density fuels.

本文研究了采用基团贡献法和分子动力学模拟计算和预测燃料物性的理论方法，对高密度燃料的物性进行了计算。

Molecular Dynamics Simulation Studies of Interlayered Structure in Lithium -, Sodium - and Potassium-Montmorillonite Hydrate.

锂-，钠-，钾水化蒙脱石层间结构的分子动力学模拟。

As an important branch of molecular simulation, molecular dynamics simulation has been widely used in chemistry, chemical engineering, materials science, biology and many other fields.

分子动力学模拟作为分子模拟的重要分支已经在化学、化工、材料、生物等领域受到了广泛的关注。

This review will outline the recent progress in flexible docking and focus on the molecular dynamics simulation techniques.

这篇综述概要介绍分子柔性对接技术的进展并重点介绍分子动力学模拟技术。

Molecular dynamics simulation was employed in this paper to investigate the relation between the properties of ultra thin films and their microstructure.

为揭示超薄膜的特性与其微观结构的关系，运用分子动力学模拟的方法进行了研究。

The effects of initial different crystal lattice of simulated system on balance temperature and cut-off radius on total balance energy were discussed in NVE ensemble by molecular dynamics simulation.

本文应用分子动力学模拟方法，讨论了NVE系综中不同初始晶格类型对模拟系统平衡温度和截断半径对模拟系统平衡总能的影响。