| 查看: 14890 | 回复: 162 | ||||||
| 【奖励】 本帖被评价118次，作者hchfox增加金币 107.5 个 | ||||||
| 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 | ||||||
[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» 收录本帖的淘帖专辑推荐
 第一性原理计算资源总汇 | 资源库 | 我的第一性原理 | VASP |
» 猜你喜欢
293求调剂
已经有14人回复
-
0703化学336分求调剂
已经有6人回复
-
304求调剂
已经有9人回复
-
281求调剂（0805）
已经有8人回复
-
环境领域全国重点实验室招收博士1-2名
已经有3人回复
-
材料专硕306英一数二
已经有10人回复
-
301求调剂
已经有6人回复
-
一志愿天津大学化学工艺专业（081702）315分求调剂
已经有7人回复
-
302求调剂
已经有6人回复
-
26博士申请
已经有3人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 什么是物理学---从"Physics Abstracts,Classification and Contents"说起
已经有50人回复
- 求Electronic Structure: Basic Theory and Practical Methods电子版
已经有8人回复
- 想寻找不同研究方向的外导，该如何陶瓷？
已经有13人回复
- 第一性原理如何描述化学反应动力学？
已经有21人回复
- 【其他】征集第一性原理计算方面牛人的主页【活动结束】
已经有80人回复
- 重奖征集国内国外做理论计算课题组的信息
已经有44人回复
- 【原创】vasp的分子动力学模拟
已经有44人回复
13楼2009-06-26 09:57:45
7楼2009-06-26 08:54:32
好资料，谢谢分享 14楼2009-06-26 10:35:48
