FSU Graduate Student Collaborates with ORNL to Predict New Intermetallic Materials


Kevin Ryan, a graduate student from the Shatruk group, has received a DOE grant to pursue a challenging project on predicting crystal structures of intermetallic compounds, in collaboration with the Oak Ridge National Lab. The project’s goal is to apply high-throughput data analysis to crystal structure databases to guide the discovery of new materials. Traditional approaches to the synthesis of new materials are inefficient because they rely on heuristic knowledge and trial-and-error experimentation, which often makes the eventual material discovery a blend of intuition and serendipity. Computational tools can help alleviate this problem by rapidly screening and testing large sets of possibilities, allowing researchers to focus only on the most promising candidates. Successful prediction of new intermetallics might substantially accelerate the discovery cycle for such important materials as heterogeneous catalysts, structural materials, or permanent magnets.


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