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Related papers: Basic Types of Coarse-Graining

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We investigate two different types of non-Markovian coarse-grained models extracted from a linear, non-equilibrium microscopic system, featuring a tagged particle coupled to underdamped oscillators. The first model is obtained by…

Statistical Mechanics · Physics 2023-10-06 Gerhard Jung

The inference of thermodynamic quantities from the description of an only partially accessible physical system is a central challenge in stochastic thermodynamics. A common approach is coarse-graining, which maps the dynamics of such a…

Statistical Mechanics · Physics 2022-08-19 Jann van der Meer , Benjamin Ertel , Udo Seifert

In this paper we present a variational technique that handles coarse-graining and passing to a limit in a unified manner. The technique is based on a duality structure, which is present in many gradient flows and other variational…

Analysis of PDEs · Mathematics 2017-03-06 Manh Hong Duong , Agnes Lamacz , Mark A. Peletier , Upanshu Sharma

Coarse-grained (CG) modeling has gained significant attention in recent years due to its wide applicability in enhancing the spatiotemporal scales of molecular simulations. While CG simulations, often performed with Hamiltonian mechanics,…

Chemical Physics · Physics 2025-04-01 Jaehyeok Jin , Gregory A. Voth

The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) systems. Despite its universality, a more exact determination of…

Chemical Physics · Physics 2023-01-18 Jaehyeok Jin , Kenneth S. Schweizer , Gregory A. Voth

In this paper we introduce a canonical quantum coarse-graining and use negentropy to connect ignorance as measured by quantum information entropy and ignorance related to quantum coarse-graining. For our procedure, macro-states are the set…

Quantum Physics · Physics 2021-11-16 Shannon Ray , Paul M. Alsing , Carlo Cafaro , Shelton Jacinto

To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…

Materials Science · Physics 2009-11-07 Stefano Curtarolo , Gerbrand Ceder

Coarse geometry studies metric spaces on the large scale. Our goal here is to study dynamics from a coarse point of view. To this end we introduce a coarse version of topological entropy, suitable for unbounded metric spaces, consistent…

Dynamical Systems · Mathematics 2020-04-20 William Geller , Michał Misiurewicz

In molecular dynamics and sampling of high dimensional Gibbs measures coarse-graining is an important technique to reduce the dimensionality of the problem. We will study and quantify the coarse-graining error between the coarse-grained…

Analysis of PDEs · Mathematics 2020-06-04 M. H. Duong , A. Lamacz , M. A. Peletier , A. Schlichting , U. Sharma

We present two approaches for coarse-graining interplanar potentials and determining the corresponding macroscopic cohesive laws based on energy relaxation and the renormalization group. We analyze the cohesive behavior of a large---but…

Materials Science · Physics 2009-11-07 O. T. Nguyen , M. Ortiz

We develop coarse-graining schemes for stochastic many-particle microscopic models with competing short- and long-range interactions on a d-dimensional lattice. We focus on the coarse-graining of equilibrium Gibbs states and using cluster…

Numerical Analysis · Mathematics 2010-03-09 M. A. Katsoulakis , P. Plechac , L. Rey-Bellet , D. K. Tsagkarogiannis

Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such…

In this paper we explore a possibility that all transport turbulent models are contained in a coarse-grained kinetic equation. Building on a recent work by H.Chen et al (2004), we account for fluctuations of a single -point probability…

Cellular Automata and Lattice Gases · Physics 2007-07-05 Victor Yakhot

A procedure suggested by Vvedensky for obtaining continuum equations as the coarse-grained limit of discrete models is applied to the restricted solid-on-solid model with both adsorption and desorption. Using an expansion of the master…

Statistical Mechanics · Physics 2007-05-23 Achilleas Lazarides

Systems out of equilibrium exhibit a net production of entropy. We study the dynamics of a stochastic system represented by a Master Equation that can be modeled by a Fokker-Planck equation in a coarse-grained, mesoscopic description. We…

Statistical Mechanics · Physics 2019-07-05 Daniel M. Busiello , Jorge Hidalgo , Amos Maritan

I briefly review some concepts related to coarse-graining methods for the dynamics of soft matter systems and argue that such schemes will almost always need to telescope down the physical hierarchy of time-scales to a more compressed, but…

Soft Condensed Matter · Physics 2010-01-11 Ard A. Louis

Inspired by holographic Wilsonian renormalization, we consider coarse graining a quantum system divided between short distance and long distance degrees of freedom, coupled via the Hamiltonian. Observations using purely long distance…

High Energy Physics - Theory · Physics 2018-08-01 Cesar Agon , Vijay Balasubramanian , Skyler Kasko , Albion Lawrence

The entropy production rate associated with broken time-reversal symmetry provides an essential characterization of nanosystems out of equilibrium, from driven colloidal particles to molecular motors. Limited access to the dynamical states…

Statistical Mechanics · Physics 2020-11-25 Gianluca Teza , Attilio L. Stella

We study the entropy generation and particle production in scalar quantum field theory in expanding spacetimes with many-particle mixed initial states. The recently proposed coarse-grained entropy approach by Brandenberger et. al. is…

High Energy Physics - Theory · Physics 2009-10-22 Esko Keski-Vakkuri

The large deviation principle is proved for a class of $L^2$-valued processes that arise from the coarse-graining of a random field. Coarse-grained processes of this kind form the basis of the analysis of local mean-field models in…

Mathematical Physics · Physics 2007-05-23 R. S. Ellis , K. Haven , B. Turkington