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

Yi-Ming Li*

*此作品的通信作者

研究成果: Conference contribution同行評審

摘要

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.

原文English
主出版物標題2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts
頁面201-202
頁數2
出版狀態Published - 2004
事件2004 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
持續時間: 24 十月 200427 十月 2004

出版系列

名字2004 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
國家/地區United States
城市West Lafayette, IN
期間24/10/0427/10/04

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