Research
- Numerical Methods for PDEs: Time integration methods, temporally adaptive Multirate Infinitesimal (MRI) methods, Matched Interface and Boundary (MIB) method, Ray-Casting MIB scheme, development of boundary conditions
- Scientific Computing: SUNDIALS/ARKODE development, biomolecular simulations, electrostatic analysis
- Mathematical Biology: Implicit solvation models, mathematical methods for molecular biology, biomolecular solvation energy
Software
SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic Equation Solvers
Nonlinear electrostatic free energy of a Kirkwood sphere
This MATLAB code solves the nonlinear Poisson-Boltzmann Equation for a Kirkwood sphere with a charge at its center, and calculates the electrostatic free energy.
Please cite the following when using this code in a publication:
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).
Funding
I am grateful for the funding from the following agencies: