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Classical Nucleation Theory is the standard treatment for nucleation, and it has been widely used to predict nucleation rates albeit, with order-of-magnitude errors. It manages to transform a kinetic theory into a thermodynamic one by making certain assumption about some microscopic quantitites $\alpha$, $\beta$ and $N(n)$.  ERRORS: \href{http://}{http://www.ffn.ub.edu/davidr/index.php?option=com_content&view=article&id=51:current-research-topics&catid=34:nucleation&Itemid=58}  Through molecular simulation it is possible to verify those assumptions directly, making it a tremendous tool in aiding to verify assumptions, development of new theories etc.  In this thesis we develop a data-centered approach to the problem.