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Non-equilibrium Markov State Modeling (MSM) has recently been proposed [Phys. Rev. E 94, 053001 (2016)] as a possible route to construct a physical theory of sliding friction from a long steady state atomistic simulation: the approach…

Statistical Mechanics · Physics 2017-10-17 M. Teruzzi , F. Pellegrini , A. Laio , E. Tosatti

We describe a fast implementation of the quasi-centroid molecular dynamics (QCMD) method in which the quasi-centroid potential of mean force is approximated as a separable correction to the classical interaction potential. This correction…

Chemical Physics · Physics 2021-11-24 Theo Fletcher , Andrew Zhu , Joseph E. Lawrence , David E. Manolopoulos

Confined active particles constitute simple, yet realistic, examples of systems that converge into a non-equilibrium steady state. We investigate a run-and-tumble particle in one spatial dimension, trapped by an external potential, with a…

Statistical Mechanics · Physics 2024-04-09 Oded Farago , Naftali R. Smith

In this paper we propose a new method for approximating the nonstationary moment dynamics of one dimensional Markovian birth-death processes. By expanding the transition probabilities of the Markov process in terms of Poisson-Charlier…

Numerical Analysis · Mathematics 2014-09-23 Stefan Engblom , Jamol Pender

We here discuss the emergence of Quasi Stationary States (QSS), a universal feature of systems with long-range interactions. With reference to the Hamiltonian Mean Field (HMF) model, numerical simulations are performed based on both the…

Statistical Mechanics · Physics 2015-06-25 Andrea Antoniazzi , Francesco Califano , Duccio Fanelli , Stefano Ruffo

This paper presents a new numerical scheme for simulating stochastic processes specified by their marginal distribution functions and covariance functions. Stochastic samples are firstly generated to automatically satisfy target marginal…

Computational Physics · Physics 2020-08-11 Zhibao Zheng

We discuss the existence and characterization of quasi-stationary distributions and Yaglom limits of self-similar Markov processes that reach 0 in finite time. By Yaglom limit, we mean the existence of a deterministic function $g$ and a…

Probability · Mathematics 2014-01-10 Bénédicte Haas , Víctor Manuel Rivero

We consider a class of birth-and-death processes describing a population made of $d$ sub-populations of different types which interact with one another. The state space is $\mathbb{Z}_+^d$ (unbounded). We assume that the population goes…

Probability · Mathematics 2018-11-20 J. -R. Chazottes , P. Collet , S. Méléard

Non-Markovian quantum state diffusion (NMQSD) is a non-relativistic but otherwise exact theory which expresses the reduced density matrix of an arbitrary subsystem, interacting linearly with an uncoupled harmonic oscillator bath, as an…

Quantum Physics · Physics 2007-05-23 Joshua Wilkie , Ray Ng

A single queueing system with time-dependent exponentially distributed arrival processes and exponential machine processes (Kendall notation $M_t/M_t/1$) is analyzed. Modeling the time evolution for the discrete queue-length distribution by…

Probability · Mathematics 2018-12-21 Dieter Armbruster , Simone Göttlich , Stephan Knapp

We characterise all the quasi-stationary distributions and the Q-process associated with a continuous state branching process that explodes in finite time. We also provide a rescaling for the continuous state branching process conditioned…

Probability · Mathematics 2013-10-17 Cyril Labbé

We analyse the evolution of a quantum oscillator in a finite temperature environment using the quantum state diffusion (QSD) picture. Following a treatment similar to that of reference [7] we identify stationary solutions of the…

Quantum Physics · Physics 2009-10-28 Andreas Zoupas

The problem of estimating the ground-state energy of a quantum system is ubiquitous in chemistry and condensed matter physics. Krylov quantum diagonalization (KQD) has emerged as a promising approach for this task. However, many KQD methods…

Quantum Physics · Physics 2025-09-30 Adam Byrne , William Kirby , Kirk M. Soodhalter , Sergiy Zhuk

The preparation of the stationary distribution of irreducible, time-reversible Markov chains is a fundamental building block in many heuristic approaches to algorithmically hard problems. It has been conjectured that quantum analogs of…

Quantum Physics · Physics 2015-02-20 Vedran Dunjko , Hans J. Briegel

We jointly investigate the existence of quasi-stationary distributions for one dimensional L\'evy processes and the existence of traveling waves for the Fisher-Kolmogorov-Petrovskii-Piskunov (F-KPP) equation associated with the same motion.…

Probability · Mathematics 2016-09-30 Pablo Groisman , Matthieu Jonckheere

Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…

Computational Physics · Physics 2020-11-20 Jakob Tómas Bullerjahn , Sören von Bülow , Gerhard Hummer

The evolution of a passive scalar field is considered for a slowly varying stratified medium, which is convected in an incompressible sheared flow with many overlapping static flux islands. Within the quasilinear/random phase approximation,…

Plasma Physics · Physics 2019-12-03 Kurt S. Riedel

The simulation of quantum processes is a key goal for the grand programme aiming at grounding quantum technologies as the way to explore complex phenomena that are inaccessible through standard, classical calculators. Some interesting steps…

Quantum Physics · Physics 2013-06-12 Andrea Chiuri , Chiara Greganti , Laura Mazzola , Mauro Paternostro , Paolo Mataloni

The study of multidimensional stochastic processes involves complex computations in intricate functional spaces. In particular, the diffusion processes, which include the practically important Gauss-Markov processes, are ordinarily defined…

Probability · Mathematics 2010-09-06 Thibaud Taillefumier , Jonathan Touboul

This paper introduces a class of Monte Carlo algorithms which are based upon the simulation of a Markov process whose quasi-stationary distribution coincides with a distribution of interest. This differs fundamentally from, say, current…

Methodology · Statistics 2020-04-14 Murray Pollock , Paul Fearnhead , Adam M. Johansen , Gareth O. Roberts