Related papers: Boundary conditions in local electrostatics algori…
The Poisson-Boltzmann equation offers an efficient way to study electrostatics in molecular settings. Its numerical solution with the boundary element method is widely used, as the complicated molecular surface is accurately represented by…
We consider boundary element methods where the Calder\'on projector is used for the system matrix and boundary conditions are weakly imposed using a particular variational boundary operator designed using techniques from augmented…
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.…
We argue that one can associate a pseudo-time with sequences of configurations generated in the course of classical Monte Carlo simulations for a single-minimum bound state, if the sampling is optimal. Hereby the sampling rates can be,…
We present a rigorous efficient event-chain Monte Carlo algorithm for long-range interacting particle systems. Using a cell-veto scheme within the factorized Metropolis algorithm, we compute each single-particle move with a fixed number of…
Various physical models can be expressed in terms of matrices. A valuable tool for analysing matrix models is numerical simulations, often the Metropolis algorithm with various improvements. The downside of this approach is that the…
We study a two-dimensional system of dipolar hard disks in the presence of a uniform external electric field $\boldsymbol{\mathcal{E}} $ by Monte Carlo simulations in a square with periodic boundary conditions. The study is performed in…
We find the spectrum of boundary bound states for the sine-Gordon model with Dirichlet boundary conditions, closing the bootstrap and providing a complete description of all the poles in the boundary reflection factors. The boundary…
We study the influence of boundary conditions on stationary, periodic patterns in one-dimensional systems. We show how a conceptual understanding of the structure of equilibria in large domains can be based on the characterization of…
We continue the line of work initiated by Goldreich and Ron (Journal of the ACM, 2017) on testing dynamic environments and propose to pursue a systematic study of the complexity of testing basic dynamic environments and local rules. As a…
Recently, Velazquez and Curilef have proposed a methodology to extend Monte Carlo algorithms based on canonical ensemble, which is aimed to overcome slow sampling problems associated with temperature-driven discontinuous phase transitions.…
In this paper, we propose to use the eikonal equation as a boundary condition when advective or normal flow equations in the level set formulation are solved numerically on polyhedral meshes in the three-dimensional domain. Since the level…
We present a constructive method to devise boundary conditions for solutions of second-order elliptic equations so that these solutions satisfy specific qualitative properties such as: (i) the norm of the gradient of one solution is bounded…
We study nonlocal Dirichlet energies associated with a class of nonlocal diffusion models on a bounded domain subject to the conventional local Dirichlet boundary condition. The goal of this paper is to give a general framework to correctly…
The study of undersea cables and mooring lines statics remains an unavoidable subject of simulation in offshore field for either steady-state analysis or dynamic simulation initialization. Whether the study concerns mooring systems pinned…
We propose a local, O(N) molecular dynamics algorithm for the simulation of charged systems. The long ranged Coulomb potential is generated by a propagating electric field that obeys modified Maxwell equations. On coupling the…
We review the local Monte Carlo dynamics and Swendsen-Wang cluster algorithm. We introduce and analyze a new Monte Carlo dynamics known as transitional Monte Carlo. The transitional Monte Carlo algorithm samples energy probability…
We present a novel Monte Carlo algorithm which enhances equilibrization of low-temperature simulations and allows sampling of configurations over a large range of energies. The method is based on a non-Boltzmann probability weight factor…
The properties of two-state nearest-neighbour cellular automata (CA) that are capable of density classification are discussed. It is shown that these CA actually conserve the total density, rather than merely classifying it. This is also…
Systems with conserved dipole moment have drawn considerable interest in light of their realization in recent experiments on tilted optical lattices. An important question for such systems is delineating the conditions under which they…