Poisson Solvers
نویسنده
چکیده
منابع مشابه
A boundary integral Poisson-Boltzmann solvers package for solvated bimolecular simulations
Abstract: Numerically solving the Poisson-Boltzmann equation is a challenging task due to the existence of the dielectric interface, singular partial charges representing the biomolecule, discontinuity of the electrostatic field, infinite simulation domains, etc. Boundary integral formulation of the Poisson-Boltzmann equation can circumvent these numerical challenges and meanwhile conveniently ...
متن کاملParallel Distributed FFT-Based Solvers for 3-D Poisson Problems in Meso-Scale Atmospheric Simulations
Fast Poisson solvers based on fast Fourier transform (FFT) computations are among the fastest techniques to solve Poisson equation on uniform grids. In this paper, the authors present two parallel distributed implementations of a 3-D fast Poisson solver in the context of the atmospheric simulation code. The first approach consists of implementing data movement between each computational step so...
متن کاملEfficient three-dimensional Poisson solvers in open rectangular conducting pipe
Three-dimensional (3D) Poisson solver plays an important role in the study of space-charge effects on charged particle beam dynamics in particle accelerators. In this paper, we propose three new 3D Poisson solvers for a charged particle beam in an open rectangular conducting pipe. These three solvers include a spectral integrated Green function (IGF) solver, a 3D spectral solver, and a 3D integ...
متن کاملSMPBS: Web server for computing biomolecular electrostatics using finite element solvers of size modified Poisson-Boltzmann equation
SMPBS (Size Modified Poisson-Boltzmann Solvers) is a web server for computing biomolecular electrostatics using finite element solvers of the size modified Poisson-Boltzmann equation (SMPBE). SMPBE not only reflects ionic size effects but also includes the classic Poisson-Boltzmann equation (PBE) as a special case. Thus, its web server is expected to have a broader range of applications than a ...
متن کاملA generalized Poisson and Poisson-Boltzmann solver for electrostatic environments.
The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by s...
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