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This note provides an introduction to molecular dynamics, the computational implementation of the theory of statistical physics. The discussion is focused on the properties of Langevin dynamics, a degenerate stochastic differential equation…

Analysis of PDEs · Mathematics 2021-12-16 Gabriel Stoltz

A simple integral relation between a complex weight and the corresponding positive distribution is derived by introducing a second complex variable. Together with the positivity and normalizability conditions, this sum rule allows to…

High Energy Physics - Lattice · Physics 2017-02-14 Jacek Wosiek

We consider the problem of building a continuous stochastic model, i.e. a Langevin or Fokker-Planck equation, through a well-controlled coarse-graining procedure. Such a method usually involves the elimination of the fast degrees of freedom…

Statistical Mechanics · Physics 2019-07-08 Marco Baldovin , Angelo Vulpiani , Andrea Puglisi , Antonio Prados

Complex Langevin simulations are an attempt to solve the sign (or complex-action) problem encountered in various physical systems of interest. The method is based on a complexification of the underlying degrees of freedom and an evolution…

High Energy Physics - Lattice · Physics 2025-04-08 Michael W. Hansen , Michael Mandl , Erhard Seiler , Dénes Sexty

A summary of the relationship between the Langevin equation, Fokker-Planck-Kolmogorov forward equation (FPKfe) and the Feynman path integral descriptions of stochastic processes relevant for the solution of the continuous-discrete filtering…

Data Analysis, Statistics and Probability · Physics 2015-05-13 Bhashyam Balaji

The covariant form of the multivariable diffusion-drift process is described by the covariant Fokker--Planck equation using the standard toolbox of Riemann geometry. The covariant form of the equivalent Langevin stochastic differential…

Statistical Mechanics · Physics 2024-10-24 Lajos Diósi

We propose a path optimization method (POM) to evade the sign problem in the Monte-Carlo calculations for complex actions. Among many approaches to the sign problem, the Lefschetz-thimble path-integral method and the complex Langevin method…

High Energy Physics - Lattice · Physics 2019-11-05 Akira Ohnishi , Yuto Mori , Kouji Kashiwa

In the numerical simulation of certain field theoretical models, the complex Langevin simulation has been believed to fail due to the violation of ergodicity. We give a detailed analysis of this problem based on a toy model with one degree…

High Energy Physics - Theory · Physics 2009-10-22 K. Fujimura , K. Okano , L. Schülke , K. Yamagishi , B. Zheng

We present a method for the nonparametric estimation of the drift function of certain types of stochastic differential equations from the empirical density. It is based on a variational formulation of the Fokker-Planck equation. The…

Data Analysis, Statistics and Probability · Physics 2016-12-16 Philipp Batz , Andreas Ruttor , Manfred Opper

When simulating molecular systems using deterministic equations of motion (e.g., Newtonian dynamics), such equations are generally numerically integrated according to a well-developed set of algorithms that share commonly agreed-upon…

Computational Physics · Physics 2014-08-08 David A. Sivak , John D. Chodera , Gavin E. Crooks

We systematically develop beneficial and practical velocity measures for accurate and efficient statistical simulations of the Langevin equation with direct applications to computational statistical mechanics and molecular dynamics…

Statistical Mechanics · Physics 2024-10-25 Niels Grønbech-Jensen

We derive analytic solutions for the full time dependence of space-fractional Fokker-Planck equations corresponding to stochastic Langevin equations with additive tempered-stable L\'{e}vy noise terms. The drift terms are generalised to be…

Statistical Mechanics · Physics 2021-05-05 Mathew Zuparic , Alexander Kalloniatis

This paper explores the use of a discrete singular convolution algorithm as a unified approach for numerical integration of the Fokker-Planck equation. The unified features of the discrete singular convolution algorithm are discussed. It is…

Computational Physics · Physics 2009-11-06 G. W. Wei

We present a new path integral method to analyze stochastically perturbed ordinary differential equations with multiple time scales. The objective of this method is to derive from the original system a new stochastic differential equation…

Pattern Formation and Solitons · Physics 2007-08-20 Tobias Schaefer Richard O. Moore

A general theory is developed to study individual based models which are discrete in time. We begin by constructing a Markov chain model that converges to a one-dimensional map in the infinite population limit. Stochastic fluctuations are…

Statistical Mechanics · Physics 2014-06-03 Joseph D. Challenger , Duccio Fanelli , Alan J. McKane

The problem of biological motion is a very intriguing and topical issue. Many efforts are being focused on the development of novel modeling approaches for the description of anomalous diffusion in biological systems, such as the very…

We study the Stephanov model, which is an RMT model for QCD at finite density, using the Complex Langevin algorithm. Naive implementation of the algorithm shows convergence towards the phase quenched or quenched theory rather than to…

High Energy Physics - Lattice · Physics 2018-04-18 Jacques Bloch , Jonas Glesaaen , Jacobus Verbaarschot , Savvas Zafeiropoulos

Given a discrete stochastic process, for example a chemical reaction system or a birth and death process, we often want to find a continuous stochastic approximation so that the techniques of stochastic differential equations may be brought…

Statistical Mechanics · Physics 2010-09-29 Edward W. J. Wallace

The great majority of algorithms employed in the study of lattice field theory are based on Monte Carlo's importance sampling method, i.e. on probability interpretation of the Boltzmann weight. Unfortunately in many theories of interest one…

High Energy Physics - Lattice · Physics 2016-06-03 Lorenzo Bongiovanni

A time-discrete approach avoids the assumption of an 'integration sense'. New path increments (in a short time step) are complete in the order of that step, and not Gaussian distributed when the noise is multiplicative; this eliminates an…

Probability · Mathematics 2025-07-29 Dietrich Ryter