Research Overview
Focus Areas
- Numerical Methods for PDEs: Time integration methods (temporally adaptive Multirate Infinitesimal (MRI) methods, Strong Stability Preserving (SSP) methods) Matched Interface and Boundary (MIB) method, Ray-Casting MIB scheme.
- Scientific Computing: SUNDIALS/ARKODE development, biomolecular simulations, and electrostatic analysis.
- Mathematical Biology: Poisson-Boltzmann Equation.
Software Contributions
SUNDIALS
SUite of Nonlinear and DIfferential/ALgebraic Equation Solvers
GitHub Project Website DocumentationNonlinear electrostatic free energy solver for Kirkwood sphere
A MATLAB code that solves the nonlinear Poisson-Boltzmann Equation for a Kirkwood sphere with a charge at its center to calculate electrostatic free energy.
Download Code (.m)Please cite the following when using the Kirkwood Sphere code:
S. Amihere, W. Geng, and S. Zhao,Benchmarking electrostatic free energy of the nonlinear Poisson–Boltzmann model for the Kirkwood sphere. Journal of Communications in Information and Systems, 22(3), 305-315, (2022).