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shuxue2012金蟲(chóng) (小有名氣)
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一款由日本開(kāi)發(fā)的高分子模擬軟件，還有其BBS論壇，分享給大家 已有2人參與
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一個(gè)新的不錯(cuò)的分子模擬原件，還有對(duì)應(yīng)的論壇，由日本開(kāi)發(fā)的，可以關(guān)注一下。 軟件網(wǎng)址：http://octa.jp/ BBC論壇網(wǎng)址：http://49.212.191.63/phpBB/ 還有一本2016年出版的書(shū) 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 |
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chuntao118
新蟲(chóng) (著名寫(xiě)手)
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- 專(zhuān)業(yè): 計(jì)算數(shù)學(xué)與科學(xué)工程計(jì)算
2樓2016-12-13 14:28:55
shuxue2012
金蟲(chóng) (小有名氣)
- 應(yīng)助: 0 (幼兒園)
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學(xué)校圖書(shū)館購(gòu)買(mǎi)了springer 數(shù)據(jù)庫(kù)，就可以在學(xué)校圖書(shū)館網(wǎng)站上下載到。 發(fā)自小木蟲(chóng)IOS客戶(hù)端 |
3樓2016-12-13 22:43:16
biancheng159
銅蟲(chóng) (正式寫(xiě)手)
- 應(yīng)助: 5 (幼兒園)
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- 專(zhuān)業(yè): 高分子物理與高分子物理化
★
小木蟲(chóng): 金幣+0.5, 給個(gè)紅包，謝謝回帖
小木蟲(chóng): 金幣+0.5, 給個(gè)紅包，謝謝回帖
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看到這個(gè)，正好之前了解過(guò)一點(diǎn)說(shuō)一下： OCTA早時(shí)（看介紹是2002年始）是由Masao Doi主持運(yùn)營(yíng)的多尺度模擬平臺(tái)，后來(lái)M. Doi到北航了（約2013年），不知是否這個(gè)原因，免費(fèi)的OCTA止于2013年，而有了收費(fèi)的J-OCTA； 今年又開(kāi)始更新，莫非是J-OCTA運(yùn)營(yíng)的不好干脆繼續(xù)開(kāi)放了？ 好不好用不知道，然而為啥國(guó)內(nèi)一直沒(méi)人資助開(kāi)發(fā)這樣一個(gè)平臺(tái)呢？唉~  |
4樓2016-12-22 20:10:33
shuxue2012
金蟲(chóng) (小有名氣)
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- 專(zhuān)業(yè): 高分子物理與高分子物理化
5樓2016-12-23 23:55:54
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