Keywords transition pathway activation energy actionderived molecular dynamics rare event systems slow mode systems simulation carbon fullerenes molecular reconfiguration alanine dipeptide valine dipeptide dynamic pathways nanotechnology Korea. School of Computational Sciences, Korea Institute for Advanced Study, Seoul 130722, Korea. Korea Research Institute of Standards and Science, Daejeon 305600, Korea. Theoretical background, implementation details, and comparison with other methods are presented. 3, No. 23 pp.334 Abstract Actionderived molecular dynamics for the simulation of rare event and slow mode systems is reviewed.

3, No. 23 pp.334 Abstract Actionderived molecular dynamics for the simulation of rare event and slow mode systems is reviewed. Korea Research Institute of Standards and Science, Daejeon 305600, Korea. Numerical examples demonstrated include the structural formation and transformation of carbon fullerenes, and molecular reconfiguration of alanine dipeptide and valine dipeptide. Theoretical background, implementation details, and comparison with other methods are presented. It is shown that the actionderived molecular dynamics is efficient to explore the dynamic pathways of various chemical reactions. DOI 10. 1504IJNT. 2006. 009587 No .

Numerical examples demonstrated include the structural formation and transformation of carbon fullerenes, and molecular reconfiguration of alanine dipeptide and valine dipeptide. Article Abstract Title Exploring dynamic pathways by actionderived molecular dynamics is efficient to explore the dynamic pathways of various chemical reactions. Keywords transition pathway activation energy actionderived molecular dynamics rare event systems slow mode systems simulation carbon fullerenes molecular reconfiguration alanine dipeptide valine dipeptide dynamic pathways nanotechnology Korea. School of Computational Sciences, Korea Institute for Advanced Study, Seoul 130722, Korea Journal International Journal of Nanotechnology Vol. DOI 10. 1504IJNT. 2006. 009587 No .

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