Numerical solutions of the Poisson-Boltzmann equation (PBE) have found wide application in the computation of electrostatic energies of hydrated molecules, including biological macromolecules. However, solving the PBE for electrostatic forces has proved more difficult, largely because of the challenge of computing the pressures exerted by a high dielectric aqueous solvent on the solute surface....

The asymptotic behavior for the Vlasov–Poisson–Fokker–Planck system in bounded domains is analyzed in this paper. Boundary conditions defined by a scattering kernel are considered. It is proven that the distribution of particles tends for large time to a Maxwellian determined by the solution of the Poisson–Boltzmann equation with Dirichlet boundary condition. In the proof of the main result, th...

We prove that the solution of the Vlasov-Fokker-Planck equation converges to the unique stationary solution with same mass as time tends to infinity. The same result holds in the repulsive coulombic case for the Vlasov-Poisson-Fokker-Planck system; the newtonian attractive case is also studied. We establish positive and negative answers to the question of existence of a stationary solution for ...

We prove a result that can be applied to determine the finitedimensional simple Poisson modules over a Poisson algebra and apply it to numerous examples. In the discussion of the examples, the emphasis is on the correspondence with the finite-dimensional simple modules over deformations and on the behaviour of finite-dimensional simple Poisson modules on the passage from a Poisson algebra to th...

A widely used electrostatics model in the biomolecular modeling community, the nonlinear Poisson–Boltzmann equation, along with its finite element approximation, are analyzed in this paper. A regularized Poisson–Boltzmann equation is introduced as an auxiliary problem, making it possible to study the original nonlinear equation with delta distribution sources. A priori error estimates for the f...

Proper modeling of nonspecific salt-mediated electrostatic interactions is essential to understanding the binding of charged ligands to nucleic acids. Because the linear Poisson-Boltzmann equation (PBE) and the more approximate generalized Born approach are applied routinely to nucleic acids and their interactions with charged ligands, the reliability of these methods is examined vis-à-vis an e...

We explore negative dependence and stochastic orderings, showing that if an integer-valued random variable W satisfies a certain negative dependence assumption, then W is smaller (in the convex sense) than a Poisson variable of equal mean. Such W include those which may be written as a sum of totally negatively dependent indicators. This is generalised to other stochastic orderings. Application...

The issue of the thermodynamics of a system of distinguishable particles is discussed in this paper. In constructing the statistical mechanics of distinguishable particles from the definition of Boltzmann entropy, it is found that the entropy is not extensive. The inextensivity leads to the so-called Gibbs paradox in which the mixing entropy of two identical classical gases increases. Lots of l...