24小时热门版块排行榜

返回列表

当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖

hchfox

木虫 (正式写手)

应助: 0 (幼儿园)
金币: 3216.5
帖子: 609
在线: 101小时
虫号: 280207

[资源] 【分享】新书-Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods

不多说了，ab-initio MD（AIMD）方面新出的书，还烫手呢，呵呵；
作者：Dominik Marx, Jürg Hutter，搞AIMD的肯定熟悉了。。。快下吧，但别忘了顶啊！！！至少得有50虫币吧，哈哈！

Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods
By Dominik Marx, Jürg Hutter

Publisher: Cambridge University Press
Number Of Pages: 578
Publication Date: 2009-05-25
ISBN-10 / ASIN: 0521898633
ISBN-13 / EAN: 9780521898638

Product Description:

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques in order that readers can understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely-used Car-Parrinello approach, correcting various misconceptions currently found in research literature. The book also contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly-used program packages, and enabling developers to improve and add new features in their code.

http://d.namipan.com/d/93fb036e8 ... 0e3e2cfa01986fb2a00
http://d.namipan.com/d/93fb036e8924e560a18dae1d988110e3e2cfa01986fb2a00

回复此楼