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dc.contributor.authorRamadhan, Ali
dc.date.accessioned2017-08-24 14:38:44 (GMT)
dc.date.available2017-08-24 14:38:44 (GMT)
dc.date.issued2017-08-24
dc.date.submitted2017-07-26
dc.identifier.urihttp://hdl.handle.net/10012/12190
dc.description.abstractCoulomb explosion imaging is a technique of imaging the structure of small molecules in the gas phase and their ultrafast dynamics by inducing the rapid ionization and dissociation of the molecule into its constituent atomic fragments. The momentum vectors of the atomic fragments facilitate the retrieval of the molecule's structure, however, few attempts at geometry reconstruction appear in the published literature, whose vague methodology casts serious doubts on the geometry reconstructions that have been performed, and motivating the need for an investigation into the feasibility of geometry reconstruction. We develop a method for the fast and precise reconstruction of triatomic molecular geometries by casting the task as a nonlinear constrained optimization problem. We use this method to investigate the uncertainty in geometry reconstructions as a function of measurement uncertainty as well as the existence and nature of multiple solutions to the geometry reconstruction problem. We map out the conditions under which molecular geometries may be accurately reconstructed and propose a framework for reconstructing geometries, and therefore producing molecular movies using Coulomb explosion imaging.en
dc.language.isoenen
dc.publisherUniversity of Waterlooen
dc.subjectCoulomb explosion imagingen
dc.subjectmolecular imagingen
dc.subjectmolecular moviesen
dc.subjectmolecular geometry reconstructionen
dc.subjectultrafasten
dc.subjectmolecular dynamicsen
dc.subjectultrashort laseren
dc.subjectlookup tableen
dc.subjectmathematical optimizationen
dc.subjectoptimizationen
dc.titleMolecular movies and geometry reconstruction using Coulomb explosion imagingen
dc.typeMaster Thesisen
dc.pendingfalse
uws-etd.degree.departmentPhysics and Astronomyen
uws-etd.degree.disciplinePhysicsen
uws-etd.degree.grantorUniversity of Waterlooen
uws-etd.degreeMaster of Scienceen
uws.comment.hiddenAppendix B includes the most essential code required to replicate the results presented in this thesis. The rest of the code, including undiscussed extensions and scripts to reproduce the plots, is available on the ali-ramadhan/msc-thesis-code GitHub repository (https://github.com/ali-ramadhan/msc-thesis-code). In the case that the code is not available from GitHub for any reason, I should be able to provide it via request by email (ali.hh.ramadhan@gmail.com) or otherwise. If you happen to stumble upon my thesis and have any questions at all, please email me!en
uws.contributor.advisorSanderson, Joseph
uws.contributor.affiliation1Faculty of Scienceen
uws.published.cityWaterlooen
uws.published.countryCanadaen
uws.published.provinceOntarioen
uws.typeOfResourceTexten
uws.peerReviewStatusUnrevieweden
uws.scholarLevelGraduateen


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