2 papers
physics.comp-ph2025
A Self-Adjusting FEM-BEM Coupling Scheme for the Nonlinear Poisson-Boltzmann Equation
Mauricio Guerrero-Montero, Michal Bosy, Christopher D. Cooper
The Poisson-Boltzmann equation is widely used to model molecular electrostatics; however, it is usually solved in linearised form because the sinh nonlinearity is challenging, limi…
physics.chem-ph2024
Some challenges of diffused interfaces in implicit-solvent models
Mauricio Guerrero-Montero, Michal Bosy, Christopher D. Cooper
The standard Poisson-Boltzmann model for molecular electrostatics assumes a sharp variation of the permittivity and salt concentration along the solute-solvent interface. The disco…