Related papers: On the efficiency of exchange in parallel temperin…
In engineering, it is a common desire to couple existing simulation tools together into one big system by passing information from subsystems as parameters into the subsystems under influence. As executed at fixed time points, this data…
We propose a Monte Carlo algorithm to sample from high dimensional probability distributions that combines Markov chain Monte Carlo and importance sampling. We provide a careful theoretical analysis, including guarantees on robustness to…
We introduce a powerful and flexible MCMC algorithm for stochastic simulation. The method builds on a pseudo-marginal method originally introduced in [Genetics 164 (2003) 1139--1160], showing how algorithms which are approximations to an…
The use of correlation matrices to evaluate the number of uncorrelated stirrer positions of reverberation chamber has widespread applications in electromagnetic compatibility. We present a comparative study of recent techniques based on…
The investigation of freezing transitions of single polymers is computationally demanding, since surface effects dominate the nucleation process. In recent studies we have systematically shown that the freezing properties of flexible,…
We present results of Monte Carlo simulations, using parallel tempering, on the three- and four-dimensional Edwards-Anderson Ising spin glass with Gaussian couplings at low temperatures with free boundary conditions. Our results suggest…
Three comments on a recent paper entitled ``Macroscopic surface charges from microscopic simulations'' [J. Chem. Phys. 153, 164709 (2020)]
Markov Chain Monte Carlo (MCMC) methods such as Gibbs sampling are finding widespread use in applied statistics and machine learning. These often lead to difficult computational problems, which are increasingly being solved on parallel and…
Task-based programming models have demonstrated their efficiency in the development of scientific applications on modern high-performance platforms. They allow delegation of the management of parallelization to the runtime system (RS),…
Monte Carlo simulations are powerful tools for understanding the effects of radiation interactions within detector devices allowing not only to evaluate typical estimates for experimental measurements and to serve as means for designing…
This paper presents two conceptually simple methods for parallelizing a Parallel Tempering Monte Carlo simulation in a distributed volunteer computing context, where computers belonging to the general public are used. The first method uses…
We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a novel…
In this paper I report results for simulations of the three-dimensional gauge glass and the four-dimensional XY spin glass using the parallel tempering Monte Carlo method at low temperatures for moderate sizes. The results are qualitatively…
We study a trapped system of fermions with an attractive zero-range two-body interaction using the Shell-Model Monte Carlo method. The method provides {\em ab initio} results in the low $N$ limit where mean-field theory is not applicable.…
We report the application of the Monte Carlo simulation to phase separation dynamics. First, we deal with the phase separation under shear flow. The thermal effect on the phase separation is discussed, and the anisotropic growth exponents…
In this short paper, we describe an efficient numerical solver for the optimal sampling problem considered in "Designing Sampling Schemes for Multi-Dimensional Data". An implementation may be found on…
A previous study of MD algorithms designed for GPU use is extended to cover more recent developments in GPU architecture. Algorithm modifications are described, together with extensions to more complex systems. New measurements include the…
This is a Reply on the proceeding comment on our paper titled "Classical Simulations Including Electron Correlations for Sequential Double Ionization".
We comment on a recent article by Hao and Scheraga.
In this paper, a review on dielectric mixtures and the importance of the numerical simulations of dielectric mixtures are presented. It stresses on the interfacial polarization observed in mixtures. It is shown that this polarization can…