Show simple item record

dc.contributor.authorGockenbach, Mark S.
Kearsley, Anthony J.
Symes, William W.
dc.date.accessioned 2018-06-18T17:41:12Z
dc.date.available 2018-06-18T17:41:12Z
dc.date.issued 1993-10
dc.identifier.citation Gockenbach, Mark S., Kearsley, Anthony J. and Symes, William W.. "An Infeasible Point Method for Minimizing the Lennard-Jones Potential." (1993) https://hdl.handle.net/1911/101817.
dc.identifier.urihttps://hdl.handle.net/1911/101817
dc.description.abstract Minimizing the Lennard-Jones potential, the most-studied problem for molecular conformation, is an unconstrained global optimization problem. In this paper, the problem is reformulated as an equality constrained nonlinear program in such a way that the likelihood of finding a global minimizer is increased. Implementation of an algorithm for solving this nonlinear program is discussed, and results of numerical tests are presented.
dc.format.extent 15 pp
dc.title An Infeasible Point Method for Minimizing the Lennard-Jones Potential
dc.type Technical report
dc.date.note October 1993
dc.identifier.digital TR93-47
dc.type.dcmi Text


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record