Optimization methods for computing global minima of nonconvex potential energy functions

Panos M. Pardalos; David Shalloway; Guoliang Xue

doi:10.1007/BF01096719

Optimization methods for computing global minima of nonconvex potential energy functions

Panos M. Pardalos, David Shalloway, Guoliang Xue

Research output: Contribution to journal › Article › peer-review

52 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	117-133
Number of pages	17
Journal	Journal of Global Optimization
Volume	4
Issue number	2
DOIs	https://doi.org/10.1007/BF01096719
State	Published - Mar 1 1994
Externally published	Yes

Keywords

Molecular conformation
global optimization
nonconvex potential functions
parallel algorithms
protein folding
simulated annealing

ASJC Scopus subject areas

Computer Science Applications
Management Science and Operations Research
Control and Optimization
Applied Mathematics

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AU - Shalloway, David

AU - Xue, Guoliang

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KW - nonconvex potential functions

KW - parallel algorithms

KW - protein folding

KW - simulated annealing

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Optimization methods for computing global minima of nonconvex potential energy functions

Abstract

Keywords

ASJC Scopus subject areas

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