Associate Professors

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Condensed Matter Theory
Shumaker Research Bldg. 242
University of Louisville
Department of Physics and Astronomy
Louisville, Kentucky 40292
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Miscellaneous Information:


B.S. in Theoretical Physics, Liaoning University, China, 1982
M.S. in Solid state Physics, Northeastern University, China, 1987
Ph.D in Condensed Matter Physics, Hokkaido Institute of Technology, Japan, 1995

Research Areas

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

Recent Five Significant Publications:

Please also see Google Scholar

  1. Theoretical prediction of sandwiched two-dimensional phosphide binary compounds sheets with tuneable bandgaps and anisotropic physical properties Congyan Zhang, Ming Yu, Nanotechnology 29, 095703 (2018)
  2. Phosphorene as an Anode Material for High Performance Lithium-Ion Battery: First Principle Study and Experimental Measurement Congyan Zhang, Ming Yu, George Anderson, Ruchira Ravinath Dharmasena, and Gamini Sumanasekera, Nanotechnology 28, 075401 (2017)
  3. Next Generation of the Self-Consistent and Environment-Dependent Hamiltonian: Applications to Various Boron Allotropes from Zero- to Three-Dimensional Structures P. Tandy, M. Yu, C. Leahy, C.S. Jayanthi, and S.Y. Wu, J. Chem. Phys. 142, 124106 (2015)
  4. Low-dimensional boron structures based on icosahedrons B12 C. B. Kah, M. Yu, P. Tandy, C. S. Jayanthi, and S. Y. Wu, Nanotechnology 26, 405701 (2015)
  5. Materials modelling for large scale and complex nanostructures: a semi-empirical Hamiltonian method
    Ming Yu and S.Y. Wu, Acta Physica, Sinica 64, 187302 (2015)