DIMACS TR: 93-89

Optimization Methods for Computing Global Minima of Nonconvex Potential Energy Functions

Authors: Panos M. Pardalos, David Shalloway and Guoliang Xue


The minimization of potential energy functions plays an important role in the determination of ground states or stable states of certain classes of molecular clusters and proteins. In this paper we introduce some of the most commonly used potential energy functions and discuss different optimization methods used in the minimization of nonconvex potential energy functions. A very complete bibliography is also given.

Paper available at: ftp://dimacs.rutgers.edu/pub/dimacs/TechnicalReports/TechReports/1993/93-89.ps
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