# Dexuan Xie

## Professor

**Office:** EMS E422

**Phone:** (414) 229-5103

**E-mail:** dxie@uwm.edu

**Web:** http://pantherfile.uwm.edu/dxie/www

### 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.

### Publications

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. “New Solution Decomposition and Minimization Schemes for Poisson-Boltzmann Equation in Calculation of Biomolecular Electrostatics.”

*Journal of Computational Physics, Elsevier*275. (2014): 294-309.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.