DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Lee, Yoon-Sup | - |
dc.contributor.advisor | 이윤섭 | - |
dc.contributor.author | Kwak, Jae-Sik | - |
dc.contributor.author | 곽재식 | - |
dc.date.accessioned | 2011-12-13T04:49:52Z | - |
dc.date.available | 2011-12-13T04:49:52Z | - |
dc.date.issued | 2004 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=240362&flag=dissertation | - |
dc.identifier.uri | http://hdl.handle.net/10203/31994 | - |
dc.description | 학위논문(석사) - 한국과학기술원 : 화학과, 2004.8, [ 83 p. ] | - |
dc.description.abstract | Ge (001) surface was modeled as a molecular cluster. The several conditions of the cluster model were varied by the Grid application, generating the multiple choices of the model. These models were benchmarked on the Grid system. After that, the potential energy surface of acetylene movement over the model Ge (001) surface was scanned, in order to study the adsorption reaction. The each point of the potential energy surface was calculated on the distributed node of the Grid system. These results show that the concept of high throughput computing can be successfully adopted to computational chemistry with Grid. The Grid system for the presented work and its simple architecture were developed. | eng |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.subject | GRID GE SURFACE ADSORPTION MODELINGSILOXANE SURFACTANTS | - |
dc.subject | 그리드 게르마늄 표면 흡착 활성제의 흡착 | - |
dc.title | (A) quantum chemical modeling of acetylene adsorption over Ge (001) surface based on grid computing | - |
dc.title.alternative | 그리드 컴퓨팅에 기초한 Ge (001) 표면과 아세틸렌 흡착의 양자 화학적 모사 기법 | - |
dc.type | Thesis(Master) | - |
dc.identifier.CNRN | 240362/325007 | - |
dc.description.department | 한국과학기술원 : 화학과, | - |
dc.identifier.uid | 020023905 | - |
dc.contributor.localauthor | Lee, Yoon-Sup | - |
dc.contributor.localauthor | 이윤섭 | - |
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