Dr. Lan Li’s research group develop and apply computer-based theoretical methodologies to capture structure-property-performance relationships and design materials with optimum properties and desired behavior. Current research encompasses of:
- Materials-by-design for thermoelectrics, carbon capture and storage.
- DNA network arrays for solar energy harvesting and quantum computing applications.
- Magnetism, transport and quantum phenomena in nanoscaled materials.
- Infrastructure development for computational modeling research
- Multiscale modeling techniques, e.g. hybrid quantum mechanics/molecular mechanics, finite element method coupled with first-principles quantum simulation.