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dc.contributor.advisorBarth, Eric J., 1964-
dc.contributor.authorNeill, Ian
dc.date.accessioned2012-02-23T14:51:58Z
dc.date.available2012-02-23T14:51:58Z
dc.date.issued2006
dc.identifier.urihttp://hdl.handle.net/10920/25171
dc.description36 p.en_US
dc.description.abstractThis paper discusses the reformulation of an old problem in new terms. While configurational transitions have been traditionally explored using the concept of potential energy, we now look to interpret these transitions in terms of free energy. The study of free energy, however, is much more complicated than the corresponding inspection of potential energy and creative techniques must be employed in the determination of the free energy function over a given variable. In this paper we present three algorithms we have developed to approximate the free energy function for a given system in one dimension. Each method is then applied to a well known test case to determine its relative ability. Finally, we examine the ability of one of our methods to determine the free energy function for the hydrogen bond distance in the biomolecule Alanine Dipeptide and discover some promising results.en_US
dc.format.mimetypeapplication/pdf
dc.language.isoen_USen_US
dc.publisherKalamazoo Collegeen_US
dc.relation.ispartofKalamazoo College Mathematics Senior Individualized Projects Collection
dc.relation.ispartofseriesSenior Individualized Projects. Mathematics.;
dc.rightsU.S. copyright laws protect this material. Commercial use or distribution of this material is not permitted without prior written permission of the copyright holder.
dc.titleApproximating Free Energy Surfacesen_US
dc.typeThesisen_US
KCollege.Access.ContactIf you are not a current Kalamazoo College student, faculty, or staff member, email dspace@kzoo.edu to request access to this thesis.


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  • Mathematics Senior Integrated Projects [270]
    This collection includes Senior Integrated Projects (SIP's) completed in the Mathematics Department. Abstracts are generally available to the public, but PDF files are available only to current Kalamazoo College students, faculty, and staff.

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