介绍分子动力学的基本原理、算法，阐述它在研究纳米机械加工机理中的重要作用。
The basic principle and algorithm of molecular dynamics are described in this paper, the importance in the study of the mechanism of Nanometric Machining is also discussed.
（包含剂量效应的稀有事件算法）方法可以很好的加速含剂量效应的离子注入的分子动力学模拟。
The READE (Rare Event Algorithm with Dose Effect) method can well speed up the MD simulation of ion implantation with dose effect.
文章针对三维分子动力学并行数值模拟中出现的负载不平衡现象，在静态负载平衡基础上，提出了一种简单有效的动态负载平衡算法。
This paper presents a simple and efficient dynamic load balancing method on the base of static load balancing, which aim at the non-balancing of 3d molecular dynamic parallel numerical simulation.
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