NextGenPB

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Copyright (C) 2021-2025 Vincenzo Di Florio

Copyright (C) 2019-2025 Carlo de Falco

Copyright (C) 2020-2021 Martina Politi

This software is distributed under the terms the terms of the GNU/GPL licence v3

Overview

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NextGenPB is a high-performance solver for the linearized Poisson–Boltzmann equation (PBE), built on an adaptive octree mesh. It efficiently computes electrostatic potentials in heterogeneous dielectric media using a flexible, hierarchical discretization scheme.

The equation solved is:

$$ -\mathrm{div} \left( \varepsilon_0 \varepsilon_r \nabla \varphi \right) + \kappa^2 \varphi = \rho^f $$

on a rectangular domain.

Documentation & Tutorials

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Comprehensive installation instructions, examples, and usage guides are available here:

NextGenPB Tutorial and Guide

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Citation

If you use NextGenPB in your research, please cite the following article:

Di Florio, V., Ansalone, P., Siryk, S. V., Decherchi, S., De Falco, C., & Rocchia, W. (2025). NextGenPB: An analytically-enabled super resolution tool for solving the Poisson-Boltzmann Equation featuring local (de) refinement. Computer Physics Communications, 109816.