Related papers: Poisson-Boltzmann Equation with a Random Field for…
We have developed a molecular mean-field theory -- fourth-order Poisson-Nernst-Planck-Bikerman theory -- for modeling ionic and water flows in biological ion channels by treating ions and water molecules of any volume and shape with…
Constant potential molecular dynamics simulation plays important role for applications of electrochemical systems, yet the calculation of charge fluctuation on electrodes remains a computational bottleneck. We propose a highly scalable,…
The electrostatic potential in the neighborhood of a biomolecule can be computed thanks to the non-linear divergence-form elliptic Poisson-Boltzmann PDE. Dedicated Monte-Carlo methods have been developed to solve its linearized version (see…
The diffusion coefficient--a measure of dissipation, and the entropy--a measure of fluctuation are found to be intimately correlated in many physical systems. Unlike the fluctuation dissipation theorem in linear response theory, the…
The impact of leading collective electronic fluctuations on a free energy of a prototype 1D model for molecular systems is considered within the recently developed Fluctuating Local Field (FLF) approach. The FLF method is a non-perturbative…
Fokker-Planck equation with the velocity-dependent coefficients is considered for various isotropic systems on the basis of probability transition (PT) approach. This method provides the self-consistent and universal description of friction…
We review the phenomenon of equilibrium fluctuations in the number of condensed atoms in a trap containing N atoms total. We start with a history of the Bose-Einstein distribution, the Einstein-Uhlenbeck debate concerning the rounding of…
We show that several diffusion-based approximations (classical diffusion or SP1, SP2, SP3) to the linear Boltzmann equation can (for an infinite, homogeneous medium) be represented exactly by a non-classical transport equation. As a…
We study the interaction of an ion with a fluctuation in the electromagnetic fields that is localized in both space and time. We study the scale-dependence of the interaction in both space and time, deriving a generic form for the ion's…
We propose a new formulation of the fluctuating lattice Boltzmann equation that is consistent with both equilibrium statististical mechanics and fluctuating hydrodynamics. The formalism is based on a generalized lattice-gas model, with each…
We study the quantum corrections to the Gross-Pitaevskii equation for two weakly linked Bose-Einstein condensates. The goals are: 1) to investigate dynamical regimes at the borderline between the classical and quantum behaviour of the…
The Poisson-Nernst-Planck system of equations used to model ionic transport is interpreted as a gradient flow for the Wasserstein distance and a free energy in the space of probability measures with finite second moment. A variational…
The Poisson-Boltzmann (PB) equation provides a mean-field theory of electrolyte solutions at interfaces and in confinement, describing how ions reorganize close to charged surfaces to form the so-called electrical double layer (EDL), with…
We derive the quantum Boltzmann equation (QBE) of composite fermions at/near the $\nu = 1/2$ state using the non-equilibrium Green's function technique. The lowest order perturbative correction to the self-energy due to the strong gauge…
The fluctuations of a number of particles in the Bose-Einstein condensate are studied in the grand canonical ensemble with an effective single-mode Hamiltonian, which is derived from an assumption that the mode corresponding to the…
Our previously introduced QTPIE (charge transfer with polarization current equilibration) model (J. Chen and T. J. Martinez, Chem. Phys. Lett. 438, 315 (2007)) is a fluctuating-charge model with correct asymptotic behavior. Unlike most…
The analytical probability distribution of finite systems obeying Bose-Einstein statistics in one, two, and three dimensions are investigated by using a canonical ensemble approach. Starting from the canonical partition function of the…
We establish a way to handle main collective fluctuations in correlated quantum systems based on a Fluctuation Local Field concept. This technique goes beyond standard mean-field approaches, such as Hartree-Fock and dynamical mean-field…
We consider subtle correlations in the scattering of fluid by randomly placed obstacles, which have been suggested to lead to a diverging dispersion coefficient at long times for high Peclet numbers, in contrast to finite mean-field…
We study the ionic distribution near a charged surface. A new method for performing Monte Carlo simulations in this geometry is discussed. A theory is then presented that allows us to accurately reproduce the density profiles obtained in…