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A fundamental challenge of the theory of liquids is to understand the similarities and differences in the macroscopic dynamics of both colloidal and atomic liquids, which originate in the (Newtonian or Brownian) nature of the microscopic…

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…

无序系统与神经网络 · 物理学 2011-09-01 R. Juárez-Maldonado , M. A. Chávez-Rojo

A simple manner to describe the diffusive relaxation of a colloidal fluid adsorbed in a porous medium is to model the porous medium as a set of spherical particles fixed in space at random positions with prescribed statistical structural…

Capturing the correct dynamics at the Coarse-Grained (CG) scale remains a central challenge in the advancement of systematic CG models for soft matter simulations. The Generalized Langevin Equation (GLE), rooted in the Mori-Zwanzig…

软凝聚态物质 · 物理学 2024-10-14 Jinu Jeong , Ishan Nadkarni , Narayana. R. Aluru

We present a new first-principles theory of dynamic arrest in colloidal mixtures based on the multi-component self-consistent generalized Langevin equation (SCGLE) theory of colloid dynamics [Phys. Rev. E {\bf 72}, 031107 (2005); ibid {\bf…

材料科学 · 物理学 2009-11-13 Rigoberto Juárez-Maldonado , Magdaleno Medina-Noyola

We introduce the spatial disorder-generalized Langevin equation (SD-GLE), a data-driven method for constructing coarse-grained (CG) dynamics in heterogeneous systems. Unlike conventional CG approaches that rely on a mean-field potential,…

计算物理 · 物理学 2026-04-21 Chuyi Liu , Yifeng Guan , Jingyuan Li , Mao Su

Coarse-grained (CG) models are simplified representations of soft matter systems that are commonly employed to overcome size and time limitations in computational studies. Many approaches have been developed to construct and parametrise…

统计力学 · 物理学 2022-09-27 Piero Luchi , Roberto Menichetti , Gianluca Lattanzi , Raffaello Potestio

The two functional forms, D~1/tau and D~T/tau, are usually adopted as the variants of the Stokes-Einstein relation; where D is the diffusion constant, tau the relaxation time and T the temperature. The self-consistent generalized Langevin…

软凝聚态物质 · 物理学 2023-03-09 Wanmei Zhang , Wenhan Zhang , Gan Ren

The complex Langevin method is a promising approach to the complex-action problem based on a fictitious time evolution of complexified dynamical variables under the influence of a Gaussian noise. Although it is known to have a restricted…

高能物理 - 格点 · 物理学 2017-01-04 Keitaro Nagata , Jun Nishimura , Shinji Shimasaki

A data-driven ab initio generalized Langevin equation (AIGLE) approach is developed to learn and simulate high-dimensional, heterogeneous, coarse-grained conformational dynamics. Constrained by the fluctuation-dissipation theorem, the…

生物物理 · 物理学 2024-09-13 Pinchen Xie , Yunrui Qiu , Weinan E

A non-equilibrium extension of Onsager's canonical theory of thermal fluctuations is employed to derive a self-consistent theory for the description of the statistical properties of the instantaneous local concentration profile n(r,t) of a…

软凝聚态物质 · 物理学 2015-05-20 Pedro Ramírez-González , Magdaleno Medina-Noyola

Recent rapid advances in single particle tracking and supercomputing techniques resulted in an unprecedented abundance of diffusion data exhibiting complex behaviours, such the presence of power law tails of the msd and memory functions,…

统计力学 · 物理学 2018-10-08 Jakub Ślęzak

We will construct a theory which can explain the dynamics toward the steady state self-gravitating systems (SGSs) where many particles interact via the gravitational force. Real examples of SGS in the universe are globular clusters and…

宇宙学与河外天体物理 · 物理学 2011-08-09 Tohru Tashiro , Takayuki Tatekawa

Generalized Langevin equations (GLEs) provide a powerful framework for describing slow dynamics in soft-matter systems, but deriving an exact homogeneous GLE (hGLE) for a reaction coordinate from an underlying many-body system remains…

软凝聚态物质 · 物理学 2026-04-13 Shunsuke Ando , Tomoya Urashita , Soya Shinkai , Tomoshige Miyaguchi

A stochastic field theory approach is applied to a coarse-grained polymer model that will enable studies of polymer behavior under non-equilibrium conditions. This article is focused on the validation of the new model in comparison to…

软凝聚态物质 · 物理学 2024-03-04 Shangren Zhu , Patrick T. Underhill

For reproducing the anomalous -- i.e., sub- or super-diffusive -- behavior in some stochastic dynamical systems, the Generalized Langevin Equation (GLE) has gained considerable popularity in recent years. Motivated by the question whether…

软凝聚态物质 · 物理学 2010-02-05 Debabrata Panja

We propose an adaptively weighted stochastic gradient Langevin dynamics algorithm (SGLD), so-called contour stochastic gradient Langevin dynamics (CSGLD), for Bayesian learning in big data statistics. The proposed algorithm is essentially a…

机器学习 · 统计学 2022-05-24 Wei Deng , Guang Lin , Faming Liang

This paper studies homogenization of stochastic differential systems. The standard example of this phenomenon is the small mass limit of Hamiltonian systems. We consider this case first from the heuristic point of view, stressing the role…

数学物理 · 物理学 2018-08-16 Jeremiah Birrell , Jan Wehr

By exact projection in phase space we derive the generalized Langevin equation (GLE) for time-filtered observables. We employ a general convolution filter that directly acts on arbitrary phase-space observables and can involve low-pass,…

统计力学 · 物理学 2024-09-20 Roland R. Netz

We provide a new convergence analysis of stochastic gradient Langevin dynamics (SGLD) for sampling from a class of distributions that can be non-log-concave. At the core of our approach is a novel conductance analysis of SGLD using an…

机器学习 · 计算机科学 2021-02-24 Difan Zou , Pan Xu , Quanquan Gu
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