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Theory & Computation

Advance computational capabilities and develop predictive models/simulations to further our understanding of the physical, structural, and chemical nature of nanomaterials and reactions, and integrate AI/ML methods into experimental platforms to enhance data analytics, efficiency, and the drive toward automation.

This section encompasses the following research groups:

 

Groups

Contact

Theory and Computation Section Head, Center for Nanophase Materials Sciences
Bobby G. Sumpter