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Start Over Author "Heymann, Matthias" Topic algorithms Publication Type Academic Journals Database Academic Search Index

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1. The geometric minimum action method for computing minimum energy paths.

Author

Vanden-Eijnden, Eric and Heymann, Matthias

Subjects
*FORCE & energy, *ALGORITHMS, *MATHEMATICAL physics, *MECHANICS (Physics), *PHYSICAL & theoretical chemistry
Abstract

An algorithm is proposed to calculate the minimum energy path (MEP). The algorithm is based on a variational formulation in which the MEP is characterized as the curve minimizing a certain functional. The algorithm performs this minimization using a preconditioned steepest-descent scheme with a reparametrization step to enforce a constraint on the curve parametrization. [ABSTRACT FROM AUTHOR]

Published
2008
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