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논문 기본 정보
- 자료유형
- 학술대회자료
- 저자정보
- 발행연도
- 2009.11
- 수록면
- 79 - 82 (4page)
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초록· 키워드
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A protocol is demonstrated for calculating the transition pathways that make it applicable to atomistic descriptions of the conformation-change processes. The theoretical framework of the method is established on the many-body potential-energy landscapes with given initial and final conformations. The present method is suitable for determining the transition pathway model with a minimum-energy barrier, representing a sampling in the trajectory space.
목차
ABSTRACT
INTRODUCTION
OBJECT FUNCTION AND ATOMISTIC TRAJECOTRIES
APPLICATIONS
CONCLUSIONS
REFERENCES
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UCI(KEPA) : I410-ECN-0101-2012-410-003696554