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  5. Isotropic Effective Energy Simulated Annealing Searches for Low Energy Molecular Cluster States

Isotropic Effective Energy Simulated Annealing Searches for Low Energy Molecular Cluster States

File(s)
92-113.ps (1.31 MB)
92-113.pdf (685.5 KB)
Permanent Link(s)
https://hdl.handle.net/1813/5487
Collections
Cornell Theory Center Technical Reports
Author
Coleman, Thomas F.
Shalloway, David
Wu, Zhijun
Abstract

The search for low energy states of molecular clusters is associated with the study of molecular conformation and especially protein folding. This paper describes a new global minimization algorithm which is effective and efficient for finding low energy states and hence stable structures of molecular clusters. The algorithm combines simulated annealing with a class of effective energy functions which are transformed from the original energy function based on the theory of renormalization groups. The algorithm converges to low energy states asymptotically and is more efficient than a general simulated annealing method.

Date Issued
1992-11
Publisher
Cornell University
Keywords
theory center
Previously Published as
http://techreports.library.cornell.edu:8081/Dienst/UI/1.0/Display/cul.tc/92-113
Type
technical report

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