An Infeasible Point Method for Minimizing the Lennard-Jones Potential

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dc.contributor.authorGockenbach, Mark S.en_US
dc.contributor.authorKearsley, Anthony J.en_US
dc.contributor.authorSymes, William W.en_US
dc.date.accessioned2018-06-18T17:41:12Zen_US
dc.date.available2018-06-18T17:41:12Zen_US
dc.date.issued1993-10en_US
dc.date.noteOctober 1993en_US
dc.description.abstractMinimizing 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.en_US
dc.format.extent15 ppen_US
dc.identifier.citationGockenbach, Mark S., Kearsley, Anthony J. and Symes, William W.. "An Infeasible Point Method for Minimizing the Lennard-Jones Potential." (1993) <a href="https://hdl.handle.net/1911/101817">https://hdl.handle.net/1911/101817</a>.en_US
dc.identifier.digitalTR93-47en_US
dc.identifier.urihttps://hdl.handle.net/1911/101817en_US
dc.language.isoengen_US
dc.titleAn Infeasible Point Method for Minimizing the Lennard-Jones Potentialen_US
dc.typeTechnical reporten_US
dc.type.dcmiTexten_US
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