Research Interests:

• First-principles modeling for all kinds of properties of materials
• Linear response/supercell phonon approach to thermodynamics
• First-principles approach to self-diffusion and impurity diffusion
• Interfacial enegetics of precipitation, antiphase boundary, domain wall, etc
• Magnetism and magnetic phase transition at finite temperature
• First- and second- order phase transitions
• Modeling of Fe-based superconductivity
• Thermodynamics of rare earth metals and compounds
• Thermodynamics of actinide metals and compounds
• Mg, and Al, and Ni alloys
• Ferrielectric and ferroelectric materials
• Elasticity at finite temperature
• Calculation of phase diagram
• Finite element analysis