Stability, accuracy and cost of NEB and string methods

MaRDI QIDQ3538715zbMATH OpenFDO

Authors Congming Jin

Publication date 24 November 2008

zbMATH Keywords

stabilitystring methodtransition pathtransition state

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Chemistry (92E99)

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(6)

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• The string method as a dynamical system
• Optimization-based string method for finding minimum energy path
• Empathes: a general code for nudged elastic band transition states search
• Stability of the minimum energy path
• Testing transition state theory on Kac-Zwanzig model

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