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The increasing computational and data requirements of scientific applications have made the usage of large clustered systems as well as distributed resources inevitable. Although executing large applications in these environments brings increased performance, the automation of the process becomes more and more challenging. The use of complex workflow management systems has been a viable solution for this automation process. In this thesis, we study a broad range of workflow management tools and compare their capabilities especially in terms of dynamic and conditional structures they support, which are crucial for the automation of complex applications. We then apply some of these tools to two real-life scientific applications: i) simulation of DNA folding, and ii) reservoir uncertainty analysis.