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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:

Data NanoAnalyticsIntegrates edge computing and AI/ML methods into instrumentation and materials synthesis platforms to accelerate the pace of discovery.

Nanomaterials Theory InstituteProvides and advances capabilities for theory and high- performance simulation to enable fundamental understanding of physical and chemical properties of nanoscale materials and soft matter.

 

Contact

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