Calculation of Virial Coefficients using Mixture Builder
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This 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.