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Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated static properties. Here we show that a similar, exquisite level…

Chemical Physics · Physics 2017-09-06 Mariana Rossi , Venkat Kapil , Michele Ceriotti

Particles and fields are standard components in numerical simulations like transport simulations in nuclear physics and have very well understood dynamics. Still, a common problem is the interaction between particles and fields due to their…

High Energy Physics - Phenomenology · Physics 2015-04-16 Christian Wesp , Hendrik van Hees , Alex Meistrenko , Carsten Greiner

This review gives an overview on the research of algorithms for dynamical fermions used in large scale lattice QCD simulations. First a short overview on the state-of-the-art of ensemble generation at the physical point is given. Followed…

High Energy Physics - Lattice · Physics 2024-02-20 Jacob Finkenrath

We show how to derive a simple integrator for the Langevin equation and illustrate how it is possible to check the accuracy of the obtained distribution on the fly, using the concept of effective energy introduced in a recent paper [J.…

Computational Physics · Physics 2008-03-31 Giovanni Bussi , Michele Parrinello

Langevin equations are used to model many processes of physical interest, including low-energy nuclear collisions. In this paper we develop a general method for computing probabilities of very rare events (e.g. small fusion cross-sections)…

Nuclear Theory · Physics 2009-10-31 O. Mazonka , C. Jarzynski , J. Blocki

Diffusion studies of adsorbates moving on a surface are often analyzed using 2D Langevin simulations. These simulations are computationally cheap and offer valuable insight into the dynamics, however, they simplify the complex interactions…

Materials Science · Physics 2015-05-28 Moshe Diamant , Saar Rahav , Riccardo Ferrando , Gil Alexandrowicz

We study Langevin dynamics for recovering the planted signal in the spiked matrix model. We provide a "path-wise" characterization of the overlap between the output of the Langevin algorithm and the planted signal. This overlap is…

Statistics Theory · Mathematics 2024-03-01 Tengyuan Liang , Subhabrata Sen , Pragya Sur

Machine learning is applied to investigate the phase transition of two-dimensional complex plasmas. The Langevin dynamics simulation is employed to prepare particle suspensions in various thermodynamic states. Based on the resulted particle…

Plasma Physics · Physics 2023-07-25 He Huang , Vladimir Nosenko , Han-Xiao Huang-Fu , Hubertus M. Thomas , Cheng-Ran Du

Recent studies utilize multiple kernel learning to deal with incomplete-data problem. In this study, we introduce new methods that do not only complete multiple incomplete kernel matrices simultaneously, but also allow control of the…

Machine Learning · Computer Science 2018-12-26 Rachelle Rivero , Tsuyoshi Kato

Quantum simulation is a rapidly evolving tool with great potential for research at the frontiers of physics, and is particularly suited to be used in computationally intensive lattice simulations, such as problems with non-equilibrium. In…

Quantum Physics · Physics 2025-11-21 Jia-Qi Gong , Ji-Chong Yang

Methods from learning theory are used in the state space of linear dynamical and control systems in order to estimate the system matrices. An application to stabilization via algebraic Riccati equations is included. The approach is…

Dynamical Systems · Mathematics 2015-08-12 Fritz Colonius , Boumediene Hamzi

Path integrals with complex actions are encountered for many physical systems ranging from spin- or mass-imbalanced atomic gases and graphene to quantum chromo-dynamics at finite density to the non-equilibrium evolution of quantum systems.…

High Energy Physics - Lattice · Physics 2022-09-01 Lukas Kades , Martin Gärttner , Thomas Gasenzer , Jan M. Pawlowski

We introduce a stable and efficient complex Langevin (CL) scheme to enable the first numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards' well known auxiliary-field (AF) framework,…

Soft Condensed Matter · Physics 2016-02-18 Xingkun Man , Kris T. Delaney , Michael C. Villet , Henri Orland , Glenn H. Fredrickson

We propose a scalable, approximate inference hypernetwork framework for a general model of history-dependent processes. The flexible data model is based on a neural ordinary differential equation (NODE) representing the evolution of…

From microscopic models, a Langevin equation can in general be derived only as an approximation. Two possible conditions to validate this approximation are studied. One is, for a linear Langevin equation, that the frequency of the Fourier…

Statistical Mechanics · Physics 2015-05-30 J. Frenkel , J. C. Taylor

There are many problems in biochemistry that are difficult to study experimentally. Simulation methods are appealing due to direct availability of atomic coordinates as a function of time. However, direct molecular simulations are…

Biomolecules · Quantitative Biology 2023-05-24 Malin Luking , David van der Spoel , Johan Elf , Gareth A. Tribello

In the complex Langevin approach to lattice simulations at nonzero density, zeroes of the fermion determinant lead to a meromorphic drift and hence a need to revisit the theoretical derivation. We discuss how poles in the drift affect the…

High Energy Physics - Lattice · Physics 2016-11-10 Gert Aarts , Erhard Seiler , Denes Sexty , Ion-Olimpiu Stamatescu

This paper presents a systematic study of the application of convolutional neural networks (CNNs) as an efficient and versatile tool for the analysis of critical and low-temperature phase states in spin system models. The problem of…

Computational Physics · Physics 2025-12-09 Dmitrii Kapitan , Pavel Ovchinnikov , Konstantin Soldatov , Petr Andriushchenko , Vitalii Kapitan

Transition of a system between two states is an important but difficult problem in natural science. In this article we study the transition problem in the framework of transition path ensemble. Using the overdamped Langevin method, we…

Statistical Mechanics · Physics 2023-02-01 De-Zhang Li , Jia-Rui Zeng , Wei-Jie Huang , Yao Yao , Xiao-Bao Yang

We introduce a scheme for deriving an optimally-parametrised Langevin dynamics of few collective variables from data generated in molecular dynamics simulations. The drift and the position-dependent diffusion profiles governing the Langevin…

Statistical Mechanics · Physics 2008-08-22 Cristian Micheletti , Giovanni Bussi , Alessandro Laio