相关论文: Boundary processing for Monte Carlo Simulations in…

Motivated by the recently-established connection between Jarzynski's equality and the theoretical framework of Stochastic Normalizing Flows, we investigate a protocol relying on out-of-equilibrium lattice Monte Carlo simulations to mitigate…

Biological tissues are complex structures composed of many elements which make light-based tissue diagnostics challenging. Over the past decades, Monte Carlo technique has been used as a fundamental and versatile approach toward modeling…

A computationally simple way to accommodate 'basins' of trapping sites in standard kinetic Monte Carlo simulations is presented. By assuming the system is effectively equilibrated in the basin, the residence time (time spent in the basin…

The constraint-preserving approach, which aim is to provide consistent boundary conditions for Numerical Relativity simulations, is discussed in parallel with other recent developments. The case of the Z4 system is considered, and…

Approximating integrals is a fundamental task in probability theory and statistical inference, and their applied fields of signal processing, and Bayesian learning, as soon as expectations over probability distributions must be computed…

A wide variety of physical, chemical, and biological processes involve diffusive particles interacting with surfaces containing reactive patches. The theory of boundary homogenization seeks to encapsulate the effective reactivity of such a…

We show how changes in unitarity-preserving boundary conditions allow continuous interpolation among the Hilbert spaces of quantum mechanics on topologically distinct manifolds. We present several examples, including a computation of…

The aim of this paper is to provide a coherent framework for transforming boundary pairs of digital images from one resolution to another without knowledge of the full images. It is intended to facilitate the simultaneous usage of…

A Monte Carlo method is presented to evaluate quantum states with many particles moving in the continuum. The scattering state is generated at each time by a Monte Carlo random sampling algorithm. The same calculation are repeated until the…

Sampling minimum energy grain boundary (GB) structures in the five-dimensional crystallographic phase space can provide much-needed insight into how GB crystallography affects various interfacial properties. However, the complexity and…

Number-conserving cellular automata are discrete dynamical systems that simulate interacting particles like e.g. grains of sand. In an earlier paper, I had already derived a uniform construction for all transition rules of one-dimensional…

An alternative to Monte Carlo techniques requiring large sampling times is presented here. Ideas from a genetic algorithm are used to select the best initial states from many independent, parallel Metropolis-Hastings iterations that are run…

Multifluid simulations of plasma sheaths are increasingly used to model a wide variety of problems in plasma physics ranging from global magnetospheric flows around celestial bodies to plasma-wall interactions in thrusters and fusion…

We have developed a technique to accelerate the acquisition of effectively uncorrelated configurations for off-lattice models of dense polymer melts which makes use of both parallel tempering and large scale Monte Carlo moves. The method is…

We describe a new, biased Monte Carlo scheme to determine the crystal structures of zeolites from powder diffraction data. We test the method on all publicly known zeolite materials, with success in all cases. We show that the method of…

Computing the grain boundary (GB) counterparts to bulk phase diagrams represents an emerging research direction. Using a classical embrittlement model system Ga-doped Al alloy, this study demonstrates the feasibility of computing…

Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly…

Trapped surfaces are studied as inner boundary for the Einstein vacuum constraint equations. The trapped surface condition can be written as a non linear boundary condition for these equations. Under appropriate assumptions, we prove…

As Gaussian processes are used to answer increasingly complex questions, analytic solutions become scarcer and scarcer. Monte Carlo methods act as a convenient bridge for connecting intractable mathematical expressions with actionable…

We present a set of well-posed constraint-preserving boundary conditions for a first-order in time, second-order in space, harmonic formulation of the Einstein equations. The boundary conditions are tested using robust stability, linear and…