Related papers: Boundary conditions in local electrostatics algori…
This article describes Monte-Carlo algorithms for charged systems using constrained updates for the electric field. The method is generalized to treat inhomogeneous dielectric media, electrolytes via the Poisson-Boltzmann equation and…
We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…
We study systems containing electrons and nuclei. Based on the fact that the thermodynamic limit exists for systems with Dirichlet boundary conditions, we prove that the same limit is obtained if one imposes other boundary conditions such…
The Monte Carlo method is a thriving and mathematically beautiful numerical technique used extensively, nowadays, to deal with many demanding problems in diverse fields. Here, we present an iterative Monte Carlo algorithm to work out very…
We consider dynamically constrained Monte-Carlo dynamics and show that this leads to the generation of long ranged effective interactions. This allows us to construct a local algorithm for the simulation of charged systems without ever…
Electrostatic forces play many important roles in molecular biology, but are hard to model due to the complicated interactions between biomolecules and the surrounding solvent, a fluid composed of water and dissolved ions. Continuum model…
We propose methods that augment existing numerical schemes for the simulation of hyperbolic balance laws with Dirichlet boundary conditions to allow for the simulation of a broad class of differential algebraic conditions. Our approach is…
We show how the directed-loop Monte Carlo algorithm can be applied to study vertex models. The algorithm is employed to calculate the arrow polarization in the six-vertex model with the domain wall boundary conditions (DWBC). The model…
We present a complete study of boundary bound states and related boundary S-matrices for the sine-Gordon model with Dirichlet boundary conditions. Our approach is based partly on the bootstrap procedure, and partly on the explicit solution…
A quantum mesoscopic billiard can be viewed as a bounded electronic system due to some external confining potential. Since, in general, we do not have access to the exact expression of this potential, it is usually replaced by a set of…
We review a family of local algorithms that permit the simulation of charged particles with purely local dynamics. Molecular dynamics formulations lead to discretizations similar to those of ``particle in cell'' methods in plasma physics.…
Continuum solvation methods can provide an accurate and inexpensive embedding of quantum simulations in liquid or complex dielectric environments. Notwithstanding a long history and manifold applications to isolated systems in open boundary…
We study the problem of imposing Dirichlet-like boundary conditions along a static spatial curve, in a planar Noncommutative Quantum Field Theory model. After constructing interaction terms that impose the boundary conditions, we discuss…
This paper presents a consistent approach to prescribe traction boundary conditions in atomistic models. Due to the typical multiple-neighbor interactions, finding an appropriate boundary condition that models a desired traction is a…
We are interested in numerical algorithms for computing the electrical field generated by a charge distribution localized on scale $\ell$ in an infinite heterogeneous medium, in a situation where the medium is only known in a box of…
Finite pieces of locally isostatic networks have a large number of floppy modes because of missing constraints at the surface. Here we show that by imposing suitable boundary conditions at the surface, the network can be rendered…
We present an algorithm to sample stochastic differential equations conditioned on rather general constraints, including integral constraints, endpoint constraints, and stochastic integral constraints. The algorithm is a pathspace…
We prove the well posedness of a class of non linear and non local mixed hyperbolic-parabolic systems in bounded domains, with Dirichlet boundary conditions. In view of control problems, stability estimates on the dependence of solutions on…
In the following paper, we will study a charged scalar field under an electromagnetic external field taking into account the spatial confining of the system. We shall use the Coleman-Weinberg method in one-loop approximation to obtain the…
This note reports on a scheme for interpolating the boundary conditions be- tween non-adjacent modeling regions when the model is based on Monte-Carlo computations of a collection of particles. The scheme conserves particles in a natural…