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Density functional theory (DFT) is an efficient instrument for describing a wide range of nanoscale phenomena: wetting transition, capillary condensation, adsorption, etc. In this paper, we suggest a method for obtaining the equilibrium…

Computational Physics · Physics 2021-06-18 Yuriy Kanygin , Irina Nesterova , Pavel Lomovitskiy , Aleksey Khlyupin

We provide sharp error bounds for the difference between the transition densities of some multidimensional Continuous Time Markov Chains (CTMC) and the fundamental solutions of some fractional in time Partial (Integro) Differential…

Probability · Mathematics 2015-05-19 M. Kelbert , V. Konakov , S. Menozzi

We introduce a predictor-corrector discretisation scheme for the numerical integration of a class of stochastic differential equations and prove that it converges with weak order 1.0. The key feature of the new scheme is that it builds up…

Computation · Statistics 2024-02-01 Deniz Akyildiz , Dan Crisan , Joaquin Miguez

Time bounded reachability is a fundamental problem in model checking continuous-time Markov chains (CTMCs) and Markov decision processes (CTMDPs) for specifications in continuous stochastic logics. It can be computed by numerically solving…

Systems and Control · Electrical Eng. & Systems 2020-01-07 Mahmoud Salamati , Sadegh Soudjani , Rupak Majumdar

We study the strong approximation of stochastic differential equations with discontinuous drift coefficients and (possibly) degenerate diffusion coefficients. To account for the discontinuity of the drift coefficient we construct an…

Numerical Analysis · Mathematics 2019-04-25 Andreas Neuenkirch , Michaela Szölgyenyi , Lukasz Szpruch

Techniques from numerical bifurcation theory are very useful to study transitions between steady fluid flow patterns and the instabilities involved. Here, we provide computational methodology to use parameter continuation in determining…

Numerical Analysis · Mathematics 2020-11-12 S. Baars , J. P. Viebahn , T. E. Mulder , C. Kuehn , F. W. Wubs , H. A. Dijkstra

We propose a particle system of diffusion processes coupled through a chain-like network structure described by an infinite-dimensional, nonlinear stochastic differential equation of McKean-Vlasov type. It has both (i) a local chain…

Probability · Mathematics 2019-07-18 Nils Detering , Jean-Pierre Fouque , Tomoyuki Ichiba

We develop continuous time Markov chain (CTMC) approximation of one-dimensional diffusions with a lower sticky boundary. Approximate solutions to the action of the Feynman-Kac operator associated with a sticky diffusion and first passage…

Probability · Mathematics 2026-01-14 Christian Meier , Lingfei Li , Gongqiu Zhang

The present article investigates the convergence of a class of space-time discretization schemes for the Cauchy problem for linear parabolic stochastic partial differential equations (SPDEs) defined on the whole space. Sufficient conditions…

Probability · Mathematics 2012-10-04 Eric Joseph Hall

To determine the effect of nonradiative excitation energy transfer on the fluorescence of a rigid multicomponent solution, a new analytical method was developed by treating this transfer as a time-resolved Markov chain (TRMC). In the TRMC…

Chemical Physics · Physics 2025-09-16 Józef Kuśba

This work introduces a novel discontinuity-tracking framework for resolving discontinuous solutions of conservation laws with high-order numerical discretizations that support inter-element solution discontinuities, such as discontinuous…

Numerical Analysis · Mathematics 2018-05-09 Matthew J. Zahr , Per-Olof Persson

We investigate a fully discrete finite element approximation for the stochastic Kuramoto-Sivashinsky equation, combining the standard finite element methods in spatial discretization with the implicit Euler-Maruyama scheme in time. Rigorous…

Numerical Analysis · Mathematics 2025-10-08 Hung D. Nguyen , Liet Vo

We consider a model initial- and Dirichlet boundary- value problem for a fourth-order linear stochastic parabolic equation, in one space dimension, forced by an additive space-time white noise. First, we approximate its solution by the…

Numerical Analysis · Mathematics 2016-07-19 Georgios E. Zouraris

It has been known that the time-dependent Hartree-Fock (TDHF) method, or the time-dependent density functional theory (TDDFT), fails to describe many-body quantum tunneling. We overcome this problem by superposing a few time-dependent…

Nuclear Theory · Physics 2020-06-15 N. Hasegawa , K. Hagino , Y. Tanimura

The direct comparison of two different continuum discretization methods towards the solution of a composite particle scattering off a nucleus is presented. The first approach -- the Continumm-Discretized Coupled Channel method -- is based…

Nuclear Theory · Physics 2008-11-26 O. A. Rubtsova , V. I. Kukulin , A. M. Moro

For the regime-switching diffusion process with and without advection term we propose an integro-differential equation describing the densities of states continuously distributed over a segment. We demonstrate that there exists a…

Analysis of PDEs · Mathematics 2026-03-18 Alexander S. Bratus , Olga S. Rozanova

Using MCMC to sample from a target distribution, $\pi(x)$ on a $d$-dimensional state space can be a difficult and computationally expensive problem. Particularly when the target exhibits multimodality, then the traditional methods can fail…

Methodology · Statistics 2026-01-14 Nicholas G. Tawn , Gareth O. Roberts

Clustering algorithms frequently require the number of clusters to be chosen in advance, but it is usually not clear how to do this. To tackle this challenge when clustering within sequential data, we present a method for estimating the…

Machine Learning · Statistics 2024-07-29 Thomas van Vuren , Thomas Cronk , Jaron Sanders

We introduce quantum versions of the $\chi^2$-divergence, provide a detailed analysis of their properties, and apply them in the investigation of mixing times of quantum Markov processes. An approach similar to the one presented in [1-3]…

Quantum Physics · Physics 2024-04-08 K. Temme , M. J. Kastoryano , M. B. Ruskai , M. M. Wolf , F. Verstraete

We prove optimal convergence results of a stochastic particle method for computing the classical solution of a multivariate McKean-Vlasov equation, when the measure variable is in the drift, following the classical approach of [BT97,…

Probability · Mathematics 2025-11-05 Marc Hoffmann , Yating Liu
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