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dc.contributor.authorHarikrishnan, Saranya
dc.date.accessioned2016-04-01T20:50:47Z
dc.date.available2016-04-01T20:50:47Z
dc.date.issued2012
dc.identifier.isbn9781267183644
dc.identifier.other922563247
dc.identifier.urihttp://hdl.handle.net/10477/47552
dc.description.abstractThis thesis describes the creation, implementation and documentation of "Mixture Builder", a Graphical User Interface (GUI), to provide a point-and-click access to calculate virial coefficients of pure components and mixtures, by performing Mayer Sampling Monte Carlo (MSMC) simulations. Etomica API supplies an extensive Java based framework for constructing molecular simulations and Mixture Builder has been built over Etomica API to provide the user an interface to construct MSMC simulations. This work intends to target expert audience with little Java programming knowledge or non-experts with lack of acquaintance with the methods of molecular simulation.
dc.languageEnglish
dc.sourceDissertations & Theses @ SUNY Buffalo,ProQuest Dissertations & Theses Global
dc.subjectApplied sciences
dc.subjectEtomica
dc.subjectGraphical user interface
dc.subjectMayer sampling monte carlo
dc.subjectMolecular simulation
dc.titleCalculation of Virial Coefficients using Mixture Builder
dc.typeDissertation/Thesis


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