Harmonic Fourier Beads 방법을 이용한 최소 자유에너지 경로 계산Simulation for Minimum Free Energy Path using Harmonic Fourier Beads method
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | 이영민 | - |
| dc.contributor.author | 임세영 | - |
| dc.date.accessioned | 2013-03-27T02:43:28Z | - |
| dc.date.available | 2013-03-27T02:43:28Z | - |
| dc.date.created | 2012-02-06 | - |
| dc.date.issued | 2007-11-02 | - |
| dc.identifier.citation | 대한기계학회 2007년 추계학술대회, v., no., pp.2424 - 2427 | - |
| dc.identifier.uri | http://hdl.handle.net/10203/158378 | - |
| dc.description.abstract | Harmonic Fourier Beads (HFB) method is used for computing minimum free energy paths under finite temperature condition. This methoduses the Fourier representation of a path in an appropriate coordinate space. Molecular dynamics method is used to generate positions for the next path. Discrete path points are restrained by harmonic force field. Utilizing HFB method, we calculate the minimum free energy path of conformational change of carbon structures, which is among the rare event phenomena. | - |
| dc.language | KOR | - |
| dc.publisher | 대한기계학회 | - |
| dc.title | Harmonic Fourier Beads 방법을 이용한 최소 자유에너지 경로 계산 | - |
| dc.title.alternative | Simulation for Minimum Free Energy Path using Harmonic Fourier Beads method | - |
| dc.type | Conference | - |
| dc.type.rims | CONF | - |
| dc.citation.beginningpage | 2424 | - |
| dc.citation.endingpage | 2427 | - |
| dc.citation.publicationname | 대한기계학회 2007년 추계학술대회 | - |
| dc.identifier.conferencecountry | South Korea | - |
| dc.identifier.conferencecountry | South Korea | - |
| dc.contributor.localauthor | 임세영 | - |
| dc.contributor.nonIdAuthor | 이영민 | - |
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