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Materials Theory and Modeling Group

Dr. Lan Li’s research group develops and applies computer-based theoretical methodologies to capture structure-property-performance relationships and design materials for desired performance. Current research encompasses of:

  • DNA-templated dye aggregate design for quantum entanglement and quantum information applications
  • Nuclear materials and sensor devices
  • Low-dimensional materials growth, properties and performance
  • Multiscale modeling and data-intensive/-driven approach development and implementation
  • Cyberinfrastructure development to accelerate materials design
Multiscale modeling techniques

Research Modeling





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