Xiaojie is interested in mathematically modeling and numerically simulating chemistry, physics, and materials science problems.
The typical phenomena of interest include
- strongly correlated materials, superconductivity;
- materials interfaces, lattice defects, and their macroscopic responses.
The main mathematical models behind the phenomena mainly are: molecular dynamics, continuum mechanics, quantum mechanics, and multi-scale coupling models.
Numerical techniques are developed mainly for the minimization problems, nonlinear systems, integrators of time-dependent problems, and eigenvalue problems.
Click the Research menu on the top of the page for the detailed research topics.