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We propose a generalized Langevin dynamics (GLD) technique to construct non-Markovian particle-based coarse-grained models from fine-grained reference simulations and to efficiently integrate them. The proposed GLD model has the form of a…

Soft Condensed Matter · Physics 2018-11-16 Gerhard Jung , Martin Hanke , Friederike Schmid

We introduce a machine learning-based approach called ab initio generalized Langevin equation (AIGLE) to model the dynamics of slow collective variables in materials and molecules. In this scheme, the parameters are learned from atomistic…

Computational Physics · Physics 2024-04-02 Pinchen Xie , Roberto Car , Weinan E

We study numerical methods for the generalized Langevin equation (GLE) with a positive Prony series memory kernel, in which case the GLE can be written in an extended variable Markovian formalism. We propose a new splitting method that is…

Computational Physics · Physics 2022-05-31 Manh Hong Duong , Xiaocheng Shang

We propose a theory of the dynamics of polymers in dilute solution, in which the popular Zimm and Rouse models are limiting cases of infinitely large and small draining parameter. The equation of motion for the polymer segments beads) is…

Soft Condensed Matter · Physics 2007-05-23 V. Lisy , J. Tothova , A. V. Zatovsky

We begin by placing the Generalized Lagrangian Mean (GLM) equations for a compressible adiabatic fluid into the Euler-Poincar\'e (EP) variational framework of fluid dynamics, for an averaged Lagrangian. We then derive a set of approximate…

Chaotic Dynamics · Physics 2015-06-26 Darryl D. Holm

A generalization of the Drude model is studied. On the one hand, the free motion of the particles is allowed to be sub- or superdiffusive; on the other hand, the distribution of the time delay between collisions is allowed to have a long…

Condensed Matter · Physics 2009-10-30 Hermann Schulz-Baldes

We consider a model system in which anomalous diffusion is generated by superposition of underlying linear modes with a broad range of relaxation times. In the language of Gaussian polymers, our model corresponds to Rouse (Fourier) modes…

Statistical Mechanics · Physics 2010-03-11 Assaf Amitai , Yacov Kantor , Mehran Kardar

Diffusion in nonhomogeneous media is described by a dynamical process driven by a general Levy noise and subordinated to a random time; the subordinator depends on the position. This problem is approximated by a multiplicative process…

Statistical Mechanics · Physics 2015-06-18 Tomasz Srokowski

We present a Master Equation formulation based on a Markovian random walk model that exhibits sub-diffusion, classical diffusion and super-diffusion as a function of a single parameter. The non-classical diffusive behavior is generated by…

Statistical Mechanics · Physics 2013-09-19 James F. Lutsko , Jean Pierre Boon

Reaction-diffusion equations deliver a versatile tool for the description of reactions in inhomogeneous systems under the assumption that the characteristic reaction scales and the scales of the inhomogeneities in the reactant…

Statistical Mechanics · Physics 2009-11-11 M. G. W. Schmidt , F. Sagues , I. M. Sokolov

Heterogeneous distribution of passive and active domains in the chromosome plays a crucial role for its dynamic organization within the cell nucleus. Motivated by that here we investigate the steady-state conformation and dynamics of a…

Soft Condensed Matter · Physics 2024-09-27 Suman Majumder , Subhajit Paul

In this paper, we investigate the microscopic dynamics of a polymer of length $N$ translocating through a narrow pore. Characterization of its purportedly anomalous dynamics has so far remained incomplete. We show that the polymer dynamics…

Soft Condensed Matter · Physics 2007-07-25 Debabrata Panja , Gerard T. Barkema , Robin C. Ball

We introduce a Langevin equation characterized by a time dependent drift. By assuming a temporal power-law dependence of the drift we show that a great variety of behavior is observed in the dynamics of the variance of the process. In…

Statistical Mechanics · Physics 2009-10-31 Fabrizio Lillo , Rosario N. Mantegna

We investigate a simple model using the numerical simulation in the complex Langevin equation (CLE) and the analytical approximation with the Gaussian Ansatz. We find that the Gaussian Ansatz captures the essential and even quantitative…

High Energy Physics - Lattice · Physics 2016-12-07 Yuya Abe , Kenji Fukushima

Using a lattice-based Monte Carlo code for simulating self-avoiding flexible polymers in three dimensions in the absence of explicit hydrodynamics, we study their Rouse modes. For self-avoiding polymers, the Rouse modes are not expected to…

Soft Condensed Matter · Physics 2009-10-20 Debabrata Panja , Gerard T. Barkema

In this paper we apply the self-consistent generalized Langevin equation theory (SCGLE) of dynamic arrest for colloidal mixtures to predict the glass transition of a colloidal fluid permeating a porous matrix of obstacles with random…

Disordered Systems and Neural Networks · Physics 2011-09-01 R. Juárez-Maldonado , M. A. Chávez-Rojo

Generalized Langevin equations (GLEs) can be systematically derived via dimensional reduction from high-dimensional microscopic systems. For linear models the derivation can either be based on projection operator techniques such as the…

Statistical Mechanics · Physics 2022-03-30 Gerhard Jung

Recent theory and experiments have shown how the buildup of a high-concentration polymer layer at a one-dimensional solvent-air interface can lead to an evaporation rate that scales with time as $t^{-1/2}$ and that is insensitive to the…

Soft Condensed Matter · Physics 2025-02-21 Max Huisman , Wilson C. K. Poon , Patrick B. Warren , Simon Titmuss , Davide Marenduzzo

For a wide class of stochastic athermal systems, we derive Langevin-like equations driven by non-Gaussian noise, starting from master equations and developing a new asymptotic expansion. We found an explicit condition whereby the…

Statistical Mechanics · Physics 2015-03-10 Kiyoshi Kanazawa , Tomohiko G. Sano , Takahiro Sagawa , Hisao Hayakawa

The diffusion behavior of particles moving in complex heterogeneous environment is a very topical issue. We characterize particle's trajectory via an underdamped Langevin system driven by a Gaussian white noise with a time dependent…

Statistical Mechanics · Physics 2022-01-05 Yao Chen , Xudong Wang