Ming Yu

Professor of Physics


Research Interests

  • Condensed Matter Theory
  • Quantum-Mechanics Based Molecular Dynamics Simulations
  • Materials Science
  • NanoScience

Current Research

Dr. Yu’s research activities focus on (1) methodology development of large scale quantum mechanics-based molecular dynamics simulations and (2) nanomaterial simulations in fundamental understanding, designing, functionalization, characterization of novel nanostructures including two-dimensional materials beyond graphene, and applications for energy storage, the next generation of all solid-state-batteries, nano-sensors, strain-induced bandgap engineering, and in-plane heterostructures, as well as van der Waals heterojunctions. Research projects include the following topics:

  1. Development of the next generation of the SCED-LCAO Hamiltonian
  2. Exploring novel 2D binary compounds
  3. Energy Materials including phosphorene as anode in Li-ion battery and Li/Na diffusion in all-solid-batteries materials
  4. Interface effects in the in-plane heterostructures and van der Waals heterojunctions
  5. Sensor Materials including WS2 and phosphorene
  6. Li intercalation induced phase transition from black to blue phosphorous
  7. Anisotropic Mechanical Properties of 2D Materials
  8. Vibration properties of phosphorene under pressure
  9. structural and electronic properties of perovskite systems
  10. Predict new low-dimensional boron structures based on Icosahedron B12 and B50/52