| 查看: 1668 | 回复: 4 | |||||
shuxue2012金虫 (小有名气)
|
[交流]
一款由日本开发的高分子模拟软件，还有其BBS论坛，分享给大家 已有2人参与
|
|
一个新的不错的分子模拟原件，还有对应的论坛，由日本开发的，可以关注一下。 软件网址：http://octa.jp/ BBC论坛网址：http://49.212.191.63/phpBB/ 还有一本2016年出版的书 OCTA is an integrated simulation system for soft materials developed by the joint project of industry and academia funded by Ministry of Economy, Trade and Industry(METI), Japan. The objective of the project is to bridge microstructural (or molecular) characteristics of soft materials with their material characteristics by simulation and modeling. This objective was quite challenging. Soft materials are made of complex molecules consisting of millions of atoms, having internal structures at many levels, and exhibiting complex responses over time scales ranging from nano-seconds to years. Theoretical models for soft materials are quite diverse: atomistic models, coarse-grained models, continuum models, and other hybrid models have been proposed to deal with mesoscopic phenomena of soft materials. They are based on different physical concepts and have disparate data structures. Our task was to construct a simulation system by integrating such diverse models. This is the so called multi-scale, multi-physics problem in computational science and engineering. In this project, we tried to solve this problem by relying on the power brought by the collaboration of human beings. Rather than producing a software package dedicated to do a limited number of physical problems, we focused our attention on constructing a system which can grow in the future. OCTA consists of four simulation engines(COGNAC, PASTA, SUSHI, MUFFIN) and a simulation platform (GOURMET). The simulation engines can carry out the simulations of molecular dynamics, reptation dynamics, interfacial dynamics, gel dynamics, two-fluid dynamics etc, and the simulation platform gives a common graphical user interface to all engines, providing an environment for various engines to work together. In Japanese, the word "OCTA" means growth for future. OCTA is by no means complete: to cover the whole area in soft materials, engines need to be enhanced and the platform needs to be brushed up. We paid special attention to make the system customizable and expandable, so that the system can grow on its own. We very much hope that the system is useful for your research, and welcome any comments you have regarding the system. Masao Doi Project Leader, Nagoya Universit |
回复此楼» 收录本帖的淘帖专辑推荐
 资源收集 | 资源 |
» 本帖已获得的红花（最新10朵）
chuntao118» 猜你喜欢
0854AI CV方向招收调剂
已经有3人回复
-
求调剂323材料与化工
已经有3人回复
-
生物学学硕求调剂
已经有9人回复
-
289求调剂
已经有8人回复
-
07化学280分求调剂
已经有5人回复
-
300分，材料，求调剂，英一数二
已经有4人回复
-
【考研调剂】化学专业 281分，一志愿四川大学，诚心求调剂
已经有16人回复
-
0854电子信息求调剂
已经有7人回复
-
0854人工智能方向招收调剂
已经有3人回复
-
调剂
已经有4人回复
» 本主题相关商家推荐: (我也要在这里推广)
chuntao118
新虫 (著名写手)
- 应助: 93 (初中生)
- 金币: 2590.9
- 散金: 1402
- 红花: 25
- 帖子: 1611
- 在线: 241.2小时
- 虫号: 1791567
- 注册: 2012-05-02
- 专业: 计算数学与科学工程计算
2楼2016-12-13 14:28:55
shuxue2012
金虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 1356
- 散金: 39
- 红花: 3
- 帖子: 169
- 在线: 100.7小时
- 虫号: 1928755
- 注册: 2012-08-07
- 专业: 高分子物理与高分子物理化
3楼2016-12-13 22:43:16
biancheng159
铜虫 (正式写手)
- 应助: 5 (幼儿园)
- 金币: 6166.3
- 散金: 31
- 红花: 4
- 帖子: 849
- 在线: 500.8小时
- 虫号: 1691619
- 注册: 2012-03-14
- 性别: GG
- 专业: 高分子物理与高分子物理化
4楼2016-12-22 20:10:33
shuxue2012
金虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 1356
- 散金: 39
- 红花: 3
- 帖子: 169
- 在线: 100.7小时
- 虫号: 1928755
- 注册: 2012-08-07
- 专业: 高分子物理与高分子物理化
5楼2016-12-23 23:55:54
