| 查看: 14836 | 回复: 162 | ||||||
| 【奖励】 本帖被评价118次，作者hchfox增加金币 107.5 个 | ||||||
[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
302求调剂
已经有6人回复
-
11408 一志愿西电，277分求调剂
已经有3人回复
-
化学工程321分求调剂
已经有13人回复
-
341求调剂
已经有5人回复
-
材料与化工304求B区调剂
已经有7人回复
-
0703化学336分求调剂
已经有4人回复
-
[复试调剂]西南科技大学国防/材料导师推荐
已经有6人回复
-
211本，11408一志愿中科院277分，曾在中科院自动化所实习
已经有4人回复
-
材料专硕326求调剂
已经有5人回复
-
东南大学364求调剂
已经有5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
7楼2009-06-26 08:54:32
9楼2009-06-26 09:25:27
10楼2009-06-26 09:30:12
11楼2009-06-26 09:30:29
13楼2009-06-26 09:57:45
14楼2009-06-26 10:35:48
15楼2009-06-26 11:11:16
17楼2009-06-26 11:54:52
20楼2009-06-26 14:26:11
21楼2009-06-26 15:01:25
22楼2009-06-26 15:09:35
24楼2009-06-26 17:00:25
26楼2009-06-26 19:46:11
28楼2009-06-26 20:56:39
31楼2009-06-26 22:09:58
33楼2009-06-26 22:43:14
35楼2009-06-27 00:59:35
39楼2009-06-27 05:07:26
43楼2009-06-27 07:43:10
44楼2009-06-27 07:51:38
45楼2009-06-27 07:57:55
46楼2009-06-27 08:32:52
47楼2009-06-27 09:08:38
48楼2009-06-27 10:40:19
49楼2009-06-27 10:58:02
简单回复
totem2楼
2009-06-26 05:55
回复
谢谢分享！
abinitio3楼
2009-06-26 06:40
回复
谢谢分享！
qqw4楼
2009-06-26 08:35
回复
chenfuzi5楼
2009-06-26 08:50
回复
2009-06-26 08:52
回复
2009-06-26 09:03
回复
weng_weng12楼
2009-06-26 09:49
回复
xfsu2000216楼
2009-06-26 11:42
回复
xshk18楼
2009-06-26 12:02
回复
y11559719楼
2009-06-26 14:21
回复
alicewal23楼
2009-06-26 16:37
回复
谢谢分享！
deen25楼
2009-06-26 19:06
回复
lzxfil27楼
2009-06-26 20:47
回复
fox-fox29楼
2009-06-26 21:59
回复
yjfeng200030楼
2009-06-26 22:05
回复
qqpie32楼
2009-06-26 22:10
回复
支持支持
NKDMS34楼
2009-06-27 00:22
回复
rom36楼
2009-06-27 01:17
回复
androman8937楼
2009-06-27 01:34
回复
南方嘉木89638楼
2009-06-27 02:43
回复
yanhualu200040楼
2009-06-27 06:45
回复
tanyutou41楼
2009-06-27 07:01
回复
suncc31142楼
2009-06-27 07:42
回复
pacify50楼
2009-06-27 12:05
回复
