Related papers: Finite-Difference Approximations and Local Algorit…

We study several stochastic combinatorial problems, including the expected utility maximization problem, the stochastic knapsack problem and the stochastic bin packing problem. A common technical challenge in these problems is to optimize…

We consider the nonlinear Poisson-Boltzmann equation in the context of electrostatic models for a biological macromolecule, embedded in a bounded domain containing a solution of an arbitrary number of ionic species which is not necessarily…

The Particle-Particle-Particle-Mesh algorithm elegantly extends the standard Particle-In-Cell scheme by direct summation of interaction that happens over distances below or around mesh size. Generally, this allows for a more accurate…

Kohn-Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions…

We present two novel classes of fully discrete energy-preserving algorithms for the sine-Gordon equation subject to Neumann boundary conditions. The cosine pseudo-spectral method is first used to develop structure-preserving spatial…

We consider so-called Herrmann and Hydrostatic mixed formulations of classical linear elasticity and analyse the error associated with locally stabilised $P_1-P_0$ finite element approximation. First, we prove a stability estimate for the…

We present a finite volume scheme for modeling the diffusion of charged particles, specifically ions, in constrained geometries using a degenerate Poisson-Nernst-Planck system with size exclusion yielding cross-diffusion. Our method…

In this paper we present global and person-by-person (PbP) optimality conditions for general decentralized stochastic dynamic optimal control problems, using a discrete-time version of Girsanov's change of measure. The PbP optimality…

We prove a new class of inequalities, yielding bounds for the normal approximation in the Wasserstein and the Kolmogorov distance of functionals of a general Poisson process (Poisson random measure). Our approach is based on an iteration of…

We consider the finite difference discretization of isotropic elastic wave equations on nonuniform grids. The intended applications are seismic studies, where heterogeneity of the earth media can lead to severe oversampling for simulations…

We present a method for generating higher-order finite volume discretizations for Poisson's equation on Cartesian cut cell grids in two and three dimensions. The discretization is in flux-divergence form, and stencils for the flux are…

Molecular Dynamics (MD) simulations of standard systems of interacting particles ("atoms") give excellent agreement with the equipartition theorem for the average energy, but we find that these simulations exhibit finite-size effects in the…

In this article, we propose a unified framework for preconditioned Riemannian gradient (P-RG) methods to minimize Gross-Pitaevskii (GP) energy functionals with rotation on a Riemannian manifold. This framework enables comprehensive analysis…

We propose a Poisson-Bikerman (PBik) formula for calculating the differential capacitance (DC) of electrical double layers (EDLs) in aqueous electrolytes or ionic liquids. The PBik theory is a generalization of the classical…

The Vlasov-Poisson-Boltzmann equation is a classical equation governing the dynamics of charged particles with the electric force being self-imposed. We consider the system in a convex domain with the Cercignani-Lampis boundary condition.…

This paper presents an efficient high-order sharp-interface method for solving the three-dimensional (3D) Poisson equation with Dirichlet boundary conditions on a nonuniform Cartesian grid with irregular domain boundaries. The new approach…

We perform a linearization of the Poisson-Boltzmann (PB) density functional for spherical Wigner-Seitz cells that yields Debye-H\"uckel-like equations agreeing asymptotically with the PB results in the weak-coupling (high-temperature)…

Electrostatic correlations and fluctuations in ionic systems can be described within an extended Poisson-Boltzmann theory using a Gaussian variational form. The resulting equations are challenging to solve because they require the solution…

We introduce a technique to automatically convert local boundary conditions into nonlocal volume constraints for nonlocal Poisson's and peridynamic models. The proposed strategy is based on the approximation of nonlocal Dirichlet or Neumann…

We study the problem of maximizing a monotone submodular function subject to a matroid independence constraint. For more than a decade, a rich body of work has studied this problem. Initially, a tight approximation of $ (1-\frac{1}{e})$ was…