Commun. Comput. Phys., 2 (2007), pp. 1220-1243.


Stability, Accuracy and Cost of NEB and String Methods

Congming Jin 1*

1 Institute of Computational Mathematics and Scientific / Engineering Computing, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100080, P.O. Box 2719, China.

Received 20 December 2006; Accepted (in revised version) 25 April 2007
Available online 2 August 2007

Abstract

In this paper, the zero-temperature string method and the nudged elastic band method for computing the transition paths and transition rates between metastable states are investigated. The stability, accuracy as well as computational cost of the two methods are discussed. The results are verified by numerical experiments.

AMS subject classifications: 92-08, 92E20, 65M12

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Key words: Transition path, transition state, string method, nudged elastic band method, stability, accuracy and cost.

*Corresponding author.
Email: jincm@lsec.cc.ac.cn
 

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