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We present the conceptual and technical background required to describe and understand the correlations and fluctuations of the empirical density and current of steady-state diffusion processes on all time scales -- observables central to…

Statistical Mechanics · Physics 2023-04-06 Cai Dieball , Aljaž Godec

Coarse graining techniques offer a promising alternative to large-scale simulations of complex dynamical systems, as long as the coarse-grained system is truly representative of the initial one. Here, we investigate how the dynamical…

Disordered Systems and Neural Networks · Physics 2009-11-13 David Gfeller , Paolo De Los Rios

Depletion forces play a role in the compaction and de-compation of chromosomal material in simple cells but it remains debatable whether they are sufficient to account for chromosomal collapse. We present coarse-grained molecular dynamics…

Soft Condensed Matter · Physics 2015-06-22 Tyler N. Shendruk , Martin Bertrand , Hendrick W. de Haan , James L. Harden , Gary W. Slater

Variational minimization of tensor network states enables the exploration of low energy states of lattice gauge theories. However, the exact numerical evaluation of high-dimensional tensor network states remains challenging in general. In…

Quantum Physics · Physics 2020-10-12 Patrick Emonts , Mari Carmen Bañuls , J. Ignacio Cirac , Erez Zohar

We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…

Soft Condensed Matter · Physics 2009-11-06 Patrick Ilg , Vlasis Mavrantzas , Hans Christian Öttinger

Simulations of condensed matter systems often focus on the dynamics of a few distinguished components but require integrating the dynamics of the full system. A prime example is a molecular dynamics simulation of a (macro)molecule in…

Computational Physics · Physics 2024-03-12 Mauricio J. del Razo , Daan Crommelin , Peter G. Bolhuis

Simulation results are presented on the collapse of granular columns composed of rod-like particles. Columns can be stable and free-standing if either the friction coefficient is large enough, or the rods long enough. Destabilizing…

Soft Condensed Matter · Physics 2023-01-16 Claus Heussinger

Considering molecular dynamic simulations as a stochastic method, we investigate the possibility of time coarse graining the simulations. Similarly to Boltzmann inversion method in spatial coarse graining, which begins with a free energy…

Soft Condensed Matter · Physics 2025-09-23 Maxime Martin , Levi Pereon , Quoc Tuan Truong , Victor Teboul

We introduce a variational method for the approximation of ground states of strongly interacting spin systems in arbitrary geometries and spatial dimensions. The approach is based on weighted graph states and superpositions thereof. These…

Quantum Physics · Physics 2007-05-23 S. Anders , M. B. Plenio , W. Dür , F. Verstraete , H. -J. Briegel

A general mean field theory is presented for the construction of equilibrium coarse grained models. Inverse methods that reconstruct microscopic models from low resolution experimental data can be derived as particular implementations of…

Statistical Mechanics · Physics 2010-07-13 Luca Larini , Vinod Krishna

Complex fluids exhibit structure on a wide range of length and time scales, and hierarchical approaches are necessary to investigate all facets of their often unusual properties. The study of idealized coarse-grained models at different…

Soft Condensed Matter · Physics 2008-10-23 Friederike Schmid

We propose a highly coarse-grained simulation model for crystalline polymer solids with crystalline lamellar structures. The mechanical properties of a crystalline polymer solid are mainly determined by the crystalline lamellar structures.…

Soft Condensed Matter · Physics 2025-01-13 Takashi Uneyama

We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…

Materials Science · Physics 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

Coarse-graining has become an area of tremendous importance within many different research fields. For molecular simulation, coarse-graining bears the promise of finding simplified models such that long-time simulations of large-scale…

Chemical Physics · Physics 2019-09-04 Feliks Nüske , Lorenzo Boninsegna , Cecilia Clementi

The study of nonlinear phenomena in systems with many degrees of freedom often relies on complex numerical simulations. In trying to model realistic situations, these systems may be coupled to an external environment which drives their…

High Energy Physics - Lattice · Physics 2009-10-28 Julian Borrill , Marcelo Gleiser

In the context of the recently developed "equation-free" approach to computer-assisted analysis of complex systems, we extract the self-similar solution describing core collapse of a stellar system from numerical experiments. The technique…

Astrophysics · Physics 2009-11-11 Andras Szell , David Merritt , Ioannis G. Kevrekidis

String breaking is a fundamental concept in gauge theories, describing the decay of a flux string connecting two charges through the production of particle-antiparticle pairs. This phenomenon is particularly important in particle physics,…

Quantum Gases · Physics 2024-11-26 Ying Liu , Wei-Yong Zhang , Zi-Hang Zhu , Ming-Gen He , Zhen-Sheng Yuan , Jian-Wei Pan

A new procedure for coarse-graining dynamical triangulations is presented. The procedure provides a meaning for the relevant value of observables when "probing at large scales", e.g. the average scalar curvature. The scheme may also be…

General Relativity and Quantum Cosmology · Physics 2010-04-30 Joe Henson

The non-equilibrium random-field Ising model is well studied, yet there are outstanding questions. In two dimensions, power law scaling approaches fail and the critical disorder is difficult to pin down. Additionally, the presence of…

Disordered Systems and Neural Networks · Physics 2019-11-06 L. X. Hayden , Archishman Raju , James P. Sethna

The simulation of dense fermionic matters is a long-standing problem in lattice gauge theory. One hopeful solution would be the use of quantum computers. In this paper, digital quantum simulation is designed for lattice gauge theory at…

High Energy Physics - Lattice · Physics 2021-07-14 Arata Yamamoto