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Materials Genomics and Integrated Modeling

The concept of rational design of materials with novel properties through effective use of computational methods is an attractive notion. It has the potential to mitigate the costs, risks and time involved in an Edisonian, or “mix-and-match” approach to the preparation and testing of promising new materials, and could yield valuable insights into the fundamental mechanisms underlying their behavior. Moreover, this paradigm for efficiently navigating through the complexities of chemical and physical spaces is an essential ingredient of the Materials Genome Initiative. In order to fully realize the promise for such rational materials design, advanced computational modeling and informatics approaches are required. The Materials Genomics and Integrated Modeling Research Thrust of the MSE department is composed of faculty members with an interest and breadth that meet these goals.