Polarizable continuum solvation models are popular in both, quantum chemistry and in
biophysics, though typically with different requirements for the numerical methods. However …

In this paper, we develop a domain-decomposition method for the generalized Poisson-
Boltzmann equation based on a solvent-excluded surface which is widely used in …

This study examines the computational challenges in elucidating intricate chemical systems,
particularly through ab-initio methodologies. This work highlights the Divide-Expand …

ABSTRACT The standard Poisson‐Boltzmann (PB) model for molecular electrostatics
assumes a sharp variation of the permittivity and salt concentration along the solute‐solvent …

The Poisson–Boltzmann equation (PBE) is an implicit solvent continuum model for
calculating the electrostatic potential and energies of charged biomolecules in ionic …

Physics-informed neural networks (PINN) is a machine learning (ML)-based method to solve
partial differential equations that has gained great popularity due to the fast development of …

In the published article, the bibliography file was corrupted. As a consequence there were
several inconsistencies within the citation list: titles did not match author lists or journal name …