Dexuan Xie

Dexuan XieProfessor

Office: EMS E422
Phone: (414) 229-5103

Educational Degrees

Ph.D. Applied Mathematics, University of Houston, 1995
M.S. Dept. of Applied Math., Hunan University, Changsha, China, 1985
B.S. Dept. of Applied Math., Hunan University, Changsha, China, 1982

Research Positions

Postdoc., NYU, 1996-1999

Research Interests

  • Numerical Analysis, Computational Mathematics, and Mathematical Biology
  • Numerical solutions of partial differential equations, numerical optimizations, and high performance scientific computing

Selected Service and Projects

  • NSF Research Grant Award, $399,935 ($230,263 for PI at UWM and $169,672 for PI (Prof. L. R. Scott) at the University of Chicago), Division of Mathematical Sciences, National Science Foundation (NSF), 2012 – 2015. Project title: Collaborative Research: Advances in Nonlocal Dielectric Modeling and Free Energy Calculation for Protein in Ionic Solvent.
  • Principal Investigator for NSF Collaborative Research, $590,691 ($265,417 for UWM and $325,234 for PI (Prof. L. R. Scott) at the University of Chicago), Division of Mathematical Sciences, National Science Foundation, 2009 – 2012.
  • Principal Investigator for NSF Research Award, $520,479 (Co-PI Dr. Peter Butko), Division of Mathematical Sciences, National Science Foundation, 2003 – 2007.
  • Co-Principal Investigator, National Institute of Biomedical Imaging and Bioengineering, NIH grant, subcontract from Medical College of Wisconsin, 2005-2008.
  • Manager, High Performance Scientific Computing Laboratory, Mathematical Sciences Department.


Xie, Dexuan, and Li, Jiao. “A new analysis of electrostatic free energy minimization and Poisson-Boltzmann equation for protein in ionic solvent.” Nonlinear Analysis: Real World Applications 21. (2015): 185-196.
Xie, Dexuan, and Volkmer, Hans W. “A modified nonlocal continuum electrostatic model for protein in water and its analytical solutions for ionic Born models.” Communications in Computational Physics, Global Science Press 13.1 (2013): 174-194.
Xie, Dexuan, Jiang, Yi, and Scott, L. Ridgway. “Efficient algorithms for a nonlocal dielectric model for protein in ionic solvent.” SIAM Journal on Scientific Computing, SIAM 35.6 (2013): B1267-1284.
Xie, Dexuan, Jiang, Yi, Brune, Peter, and Scott, L. Ridgway. “A fast solver for a nonlocal dielectric continuum model.” SIAM Journal on Scientific Computing, SIAM 34.2 (2012): B107-B126.
Xie, Dexuan. “An improved approximate Newton method for implicit Runge–Kutta formulas.” Journal of Computational and Applied Mathematics, Elsevier B.V. 235.17 (2011): 5249-5258.
Xie, Dexuan, and Scott, L. R. “A new boundary integral equation for molecular electrostatics with chares over whole space.” BIT Numerical Mathematic, Springer 51.4 (2011): 1051-1071.
Li, Xiaochuan, Nevels, Kerrick J., Gryczynski, Zygmunt, Gryczynski, Ignacy, Pusztai-Carey, Marianne, Xie, Dexuan, and Butko, Peter. “A molecular dynamics model of Bt toxin Cyt1A and its validation by resonance energy transfer.” Biophysical Chemistry, Elsevier 144.1-2 (2009): 53-61.
Xie, Dexuan. “New parallel symmetric SOR preconditioners by multi-type partitioning.” Proceedings of the International Conference on Computational and Mathematical Methods in Science and Engineering, Chicago (2007) .
Xie, Dexuan, and Zhou, Shuzi. “A new minimization protocol for solving nonlinear Poisson-Boltzmann mortar finite element equation.” BIT Numerical Mathematics, Springer 47.4 (2007): 853-871.
Xie, Dexuan. “A new block parallel SOR method and its analysis.” SIAM Journal on Scientific Computing, Society for Industrial and Applied Mathematics Philadelphia, PA, USA 27.5 (2006): 1513 - 1533.
Xie, Dexuan. “Visualization of large chemical databases with application to drug design.” Numerical Linear Algebra and Optimization Science Press (Beijing/New York). (2003): 81-97.
Xie, Dexuan, Singh, Suresh B., Fluder, Eugene M., and Schlick, Tamar. “Principal component analysis combined with truncated-Newton minimization for dimensionality reduction of chemical databases.” Mathematical Programming, Springer 95.1 (2002): 161-185.
Xie, Dexuan, and Schlick, Tamar. “A more lenient stopping rule for line search algorithms.” Optimization Methods and Software, Taylor & Francis Group 17.4 (2002): 683-700, 2002.
Xie, Dexuan, Tropsha, Alexander, and Schlick, Tamar. “An efficient projection protocol for chemical databases: the singular value decomposition combined with truncated-Newton minimization.” Journal of Chemical Information and Computer Sciences, American Chemical Society 40.1 (2000): 167-177.
Xie, Dexuan, Scott, Ridgway, and Schlick, Tamar. “Analysis of the SHAKE-SOR algorithm for constrained molecular dynamics simulations.” Methods and Applications of Analysis, International Press, Boston, Massachusetts, USA 7.3 (2000): 577-590.
Scott, L. R., and Xie, Dexuan. “Parallel Linear Stationary Iterative Methods.” Parallel Solution of Partial Differential Equations, The IMA Volumes in Mathematics and its Appications, Springer-Verlag 120. (2000): 31-55.
Xie, Dexuan, and Schlick, Tamar. “Visualization of chemical databases using the singular value decompositionand truncated-Newton minimization.” Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches, Nonconvex Optimization and Its Applications, Kluwer Academic Publishers 40. (2000): 267-286.
Xie, Dexuan, and Schlick, Tamar. “Efficient implementation of the truncated-Newton algorithm for large-scale chemistry applications.” SIAM Journal on Optimization, SIAM 10.1 (1999): 132-154.