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We show how to construct the optimum superstatistical dynamical model for a given experimentally measured time series. For this purpose we generalise the superstatistics concept and study a Langevin equation with a memory kernel whose…

Statistical Mechanics · Physics 2011-01-10 Erik Van der Straeten , Christian Beck

The three-dimensional XY model is studied at finite chemical potential using complex Langevin dynamics. An adaptive stepsize algorithm is implemented to cure the problem of runaway solutions that appears when using a constant stepsize. The…

High Energy Physics - Lattice · Physics 2011-01-27 Gert Aarts , Frank A. James

We consider the non-equilibrium dynamics of a real quantum scalar field. We show the formal equivalence of the exact evolution equations for the statistical and spectral two-point functions with a fictitious Langevin process and examine the…

High Energy Physics - Theory · Physics 2015-06-11 Florian Gautier , Julien Serreau

In this paper, we consider Langevin processes with mechanical constraints. The latter are a fundamental tool in molecular dynamics simulation for sampling purposes and for the computation of free energy differences. The results of this…

Statistical Mechanics · Physics 2011-04-19 Tony Lelievre , Mathias Rousset , Gabriel Stoltz

The accurate computational determination of chemical, materials, biological, and atmospheric properties has critical impact on a wide range of health and environmental problems, but is deeply limited by the computational scaling of…

Chemical Physics · Physics 2021-06-09 Debadrita Saha , Srinivasan S. Iyengar , Philip Richerme , Jeremy M. Smith , Amr Sabry

Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…

Computational Physics · Physics 2018-05-09 Jason A. Wagoner , Vijay S. Pande

We first test the Complex Langevin method (CLE) on various simple models. We then introduce the method of Gauge Cooling to control the dynamics of the process and ensure thin distributions in the imaginary direction. We finally apply CLE…

High Energy Physics - Lattice · Physics 2013-10-29 Gert Aarts , Lorenzo Bongiovanni , Erhard Seiler , Denes Sexty , Ion-Olimpiu Stamatescu

The internal dynamics of macro-molecular systems is characterized by widely separated time scales, ranging from fraction of ps to ns. In ordinary molecular dynamics simulations, the elementary time step dt used to integrate the equation of…

Soft Condensed Matter · Physics 2015-05-19 Pietro Faccioli

Pervasive across diverse domains, stochastic systems exhibit fluctuations in processes ranging from molecular dynamics to climate phenomena. The Langevin equation has served as a common mathematical model for studying such systems, enabling…

Statistical Mechanics · Physics 2025-05-01 Youngkyoung Bae , Seungwoong Ha , Hawoong Jeong

Complex Langevin simulations have been able to successfully reproduce results from Monte Carlo methods in the region where the sign problem is mild and make predictions when it is exponentially hard. We present here our study of the QCD…

High Energy Physics - Lattice · Physics 2016-10-25 Gert Aarts , Felipe Attanasio , Benjamin Jäger , Dénes Sexty

The quantum nature of nuclei plays an important role in the accurate modelling of light atoms such as hydrogen, but it is often neglected in simulations due to the high computational overhead involved. It has recently been shown that…

Computational Physics · Physics 2012-02-21 Michele Ceriotti , David E. Manolopoulos , Michele Parrinello

Stochastic evolutions of classical field theories have recently become popular in the study of problems such as determination of the rates of topological transitions and the statistical mechanics of nonlinear coherent structures. To obtain…

High Energy Physics - Lattice · Physics 2009-10-31 Luis M. A. Bettencourt , Salman Habib , Grant Lythe

Using the complex Langevin sampling strategy, field theoretic simulations are performed to study the equilibrium phase behavior and structure of symmetric polycation-polyanion mixtures without salt in good solvents. Static structure factors…

Soft Condensed Matter · Physics 2008-06-14 Jonghoon Lee , Yuri O. Popov , Glenn H. Fredrickson

In molecular dynamics, penalized overdamped Langevin dynamics are used to model the motion of a set of particles that follow constraints up to a parameter $\varepsilon$. The most used schemes for simulating these dynamics are the Euler…

Numerical Analysis · Mathematics 2022-10-10 Adrien Laurent

We introduce a projected complex Langevin (CL) numerical sampling method -- a fictitious Langevin dynamics scheme that uses numerical projection to sample a constrained stationary distribution with highly oscillatory character. Despite the…

Quantum Gases · Physics 2025-03-04 Ethan C. McGarrigle , Hector D. Ceniceros , Glenn H. Fredrickson

Gradient Langevin dynamics and a variety of its variants have attracted increasing attention owing to their convergence towards the global optimal solution, initially in the unconstrained convex framework while recently even in convex…

Optimization and Control · Mathematics 2024-08-15 Kanji Sato , Akiko Takeda , Reiichiro Kawai , Taiji Suzuki

We address the problem of constructing accurate mathematical models of the dynamics of complex systems projected on a collective variable. To this aim we introduce a conceptually simple yet effective algorithm for estimating the parameters…

Statistical Mechanics · Physics 2022-09-28 Karen Palacio-Rodriguez , Fabio Pietrucci

Lattice field theories with a complex action can be studied numerically by allowing a complexified configuration space to be explored. Here we compare the recently introduced formulation on a Lefschetz thimble with the result from…

High Energy Physics - Lattice · Physics 2013-11-13 Gert Aarts

Stochastic quantization offers the opportunity to simulate field theories with a complex action. In some theories unstable trajectories are prevalent when a constant stepsize is employed. We construct algorithms for generating an adaptive…

High Energy Physics - Lattice · Physics 2014-11-20 Gert Aarts , Frank A. James , Erhard Seiler , Ion-Olimpiu Stamatescu

We consider the problem of modeling, estimating, and controlling the latent state of a spatiotemporally evolving continuous function using very few sensor measurements and actuator locations. Our solution to the problem consists of two…

Systems and Control · Computer Science 2015-08-11 Hassan A. Kingravi , Harshal Maske , Girish Chowdhary
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