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分子动力学模拟的主要技术
Alternative TitleAn overview on molecular dynamics simulation
文玉华; 朱如曾; 周富信; 王崇愚
Source Publication力学进展
2003
Volume33Issue:1Pages:65-73
ISSN1000-0992
Abstract综述了分子动力学模拟技术的发展,介绍了分子动力学的基本原理,有关的有限差分技术,势函数的发展,初始条件和边界条件的选取,平衡态系综及其调控,感兴趣量的提取,分子动力学的特别用途以及与其他计算方法的结合,最后还指出了分子动力学模拟方法本身进一步研究的方向。
Keyword分子动力学 有限差分法 原子间作用势 平衡态系统 结构分析技术 模拟技术
Subject Area力学
Indexed ByCSCD
Language中文
CSCD IDCSCD:1332803
Citation statistics
Cited Times:69[CSCD]   [CSCD Record]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/16481
Collection力学所知识产出(1956-2008)
Recommended Citation
GB/T 7714
文玉华,朱如曾,周富信,等. 分子动力学模拟的主要技术[J]. 力学进展,2003,33,1,:65-73.
APA 文玉华,朱如曾,周富信,&王崇愚.(2003).分子动力学模拟的主要技术.力学进展,33(1),65-73.
MLA 文玉华,et al."分子动力学模拟的主要技术".力学进展 33.1(2003):65-73.
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