Prof. Dexuan Xie's research projects involve mathematical modeling and analysis, optimal control of PDEs, variational methods, numerical solution of linear and nonlinear partial differential equations, large-scale optimization, software package development, and large-scale biomolecular simulations. Their success will significantly advance the development of computational mathematics, high performance scientific computing, and computational biology.

Current Research Project

Prof. Dexuan Xie is currently working on a collaborative research project with Prof. L. Ridgway Scott at the University of Chicago under the support of NSF grants. This research project focuses on the study of nonlocal electrostatic continuum solvent modeling and related fast numerical solvers with applications to ion channel study, solvation free energy calculation, protein simulation, and rational drug design problems. One goal of the project is to understand the role of dielectric models in predicting the mechanism of ion channels (mainly sodium and calcium channels).

Previous Research Projects

Prof. Dexuan Xie have being worked on the following four projects since 2002:

  • Simulation of protein-membrane interactions by implicit solvent models.
  • MSM Multiscale Modeling of the Heart in Cardiovascular.
  • Visualization of structure-activity relationships of chemical databases.
  • Electrostatic analysis of Cytochrome c by Poisson-Boltzmann equation.