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In this work, we propose an efficient numerical method for computing the electrostatic interaction between two like-charged spherical particles which is governed by the nonlinear Poisson-Boltzmann equation. The nonlinear problem is solved by a monotone iterative method which leads to a sequence of linearized equations. A modified central finite difference(More)
Spatial neighbouring relation is a very important concept in spatial information science. It has even been regarded as the base of spatial information system. Neighouring information is indispensable for many operations in spatial information system. Therefore, it is significant to describe and acquire such in an efficient way. Most of current concepts of(More)
Violation of energy conservation in Poisson-Boltzmann molecular dynamics, due to the limited accuracy and precision of numerical methods, is a major bottleneck preventing its wide adoption in biomolecular simulations. We explored the ideas of enforcing interface conditions by the immerse interface method and of removing charge singularity to improve the(More)
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