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This paper explores an educational research approach that views education as a complex system to be explored through computational science techniques. We outline the development of computational models that simulate learning in a classroom environment, leveraging existing quantitative and qualitative data. These models enable computational experiments, which are refined iteratively based on real classroom experimental data to help answer questions such as: “What are the best available pedagogical approaches to help improve student mathematics achievement?” Our computational experiments involve data on different instructional approaches for math learning, which suggest Productive Failure may be a particularly effective approach for these students. Finally, we discuss the potential applications of computational studies for educational research more generally.