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Welcome to the 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 device performance. Current research encompasses of:

  • Nuclear materials and sensor devices
  • 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, phase field modeling coupled with first-principles quantum simulation, and a combination of experiment, modeling and data science


News and Media

  •  Apr, 2019, “Boise State Students Receive National Awards for Nuclear Energy Research”, Link
  • Apr, 2018 “Dr. Lan Li – Collaborations with Idaho National Laboratory Pave the Way to Energy Innovation”,
  • Aug 2015, Boise State Update on “Study Looks at Best Materials to Cut Coal Plant Emissions”, Link
  • Jul 2014, Boise State Update on “2014 Minerals, Metals & Materials Society (TMS) Young Leader Professional Development Award”, Link
  • Oct 2013, Boise State Update on “Engineering Students Experience Unique Internship in Maryland”, Link