A comparative study of numerical algorithms in calculating eigenpairs of the master equation for protein folding kinetics

Yi-Ming Li*

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The comparison of various eigenvalue algorithms used for the calculation of nonpositive eigenvalues and their corresponding eigenvectors of the master equation for protein folding problem was presented. The algorithms which include, power method, implicitly started Arnoldi method, Jacobi-Davidson method, and QR algorithm, are considered in terms of accuracy, stability, and robustness. QR is the robust algorithm, but it requires large storage memory and CPU time when matrix size is large. Power method was found to be more sensitive to the initial guesses in comparing with the implicitly restarted Arnoldi method.

Original languageEnglish
Title of host publication2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts
Pages201-202
Number of pages2
StatePublished - 2004
Event2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts - West Lafayette, IN, United States
Duration: 24 Oct 200427 Oct 2004

Publication series

Name2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts

Conference

Conference2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts
CountryUnited States
CityWest Lafayette, IN
Period24/10/0427/10/04

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