Research Interests
- Computational mathematics and numerical analysis
- Mathematical biology and computational chemistry
- High performance scientific computing
Particular Research Interests
- Finite element, finite difference, multigrid, domain decomposition, iterative Krylov, and parallel methods for solving linear and nonlinear partial differential equations (PDEs)
- Nonlocal electrostatic continuum models for protein in ionic solvent
- Ion channel modeling with application to integrated mitochondrial modeling and simulations
- Numerical optimization methods with applications in biomolecular potential energy minimization and chemical database analysis
- Optimal control of PDEs and variational methods with applications in electrostatic free energy minimization subject to ionic size effects and electrostatic continuum models
- Free energy calculation with application in ion channel study and rational drug design
- Blood-tissue transport and metabolism modeling
- Stiff ordinary differential equation solvers
- Molecular mechanics and molecular dynamics