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Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…

Materials Science · Physics 2015-05-13 P. F. Tupper , Martin Grant

We address aspects of coarse-graining in classical Statistical Physics from the viewpoint of the symplectic non-squeezing theorem. We make some comments regarding the implications of the symplectic non-squeezing theorem for the BBGKY…

Statistical Mechanics · Physics 2022-01-26 Nikolaos Kalogeropoulos

We present a new computational framework combining coarse-graining techniques with bootstrap methods to study quantum many-body systems. The method efficiently computes rigorous upper and lower bounds on both zero- and finite-temperature…

High Energy Physics - Theory · Physics 2025-11-25 Minjae Cho , Colin Oscar Nancarrow , Petar Tadić , Yuan Xin , Zechuan Zheng

We poorly understand the macroscopic properties of complex fluids and of amorphous bodies in general. This is mainly due to the interplay between phenomena at different levels and length-scales. In particular, it is not necessarily true…

Soft Condensed Matter · Physics 2010-04-14 Alessio Zaccone

In this paper we consider a random partition of the plane into cells, the partition being based on the nodes and links of a {\it random planar geometric graph}. The resulting structure generalises the \emph{random \tes}\ hitherto studied in…

Probability · Mathematics 2016-06-07 Richard Cowan , Albert K. L. Tsang

In recent years, simulation methods based on the scaling of atomic potential functions, such as quasi-coarse-grained dynamics and coarse-grained dynamics, have shown promising results for modeling crystalline systems at multiple scales.…

Mesoscale and Nanoscale Physics · Physics 2024-09-11 Dong-Dong Jiang , Jian-Li Shao

Protein folding, peptide aggregation and crystallization, as well as adsorption of molecules on soft or solid substrates have an essential feature in common: In all these processes, structure formation is guided by a collective, cooperative…

Statistical Mechanics · Physics 2009-02-12 Michael Bachmann , Wolfhard Janke

Many approaches of coarse-graining have been developed under the names of Cosserat theory or polar-fluid theory, for those materials in which some component elements undergo non-affine deformations, such as elastic materials with inclusions…

Soft Condensed Matter · Physics 2016-07-11 Antoine Fruleux , Ken Sekimoto

We study the motion of an overdamped particle connected to a thermal heat bath in the presence of an external periodic potential in one dimension. When we coarse-grain, i.e., bin the particle positions using bin sizes that are larger than…

Statistical Mechanics · Physics 2023-03-01 Lucianno Defaveri , Eli Barkai , David A. Kessler

The success and generalisation of deep learning algorithms heavily depend on learning good feature representations. In medical imaging this entails representing anatomical information, as well as properties related to the specific imaging…

Computer Vision and Pattern Recognition · Computer Science 2020-04-21 Agisilaos Chartsias , Thomas Joyce , Giorgos Papanastasiou , Scott Semple , Michelle Williams , David Newby , Rohan Dharmakumar , Sotirios A. Tsaftaris

Coarse-graining (CG) is a systematic reduction of the number of degrees of freedom (DOF) used to describe a system of interest. CG can be thought of as a projection on coarse-grained DOF and is therefore dependent on the functions used to…

Soft Condensed Matter · Physics 2018-10-17 Christoph Scherer , Denis Andrienko

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

One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heterogeneous environments, where electronic responses give rise…

Chemical Physics · Physics 2016-09-13 Flaviu S. Cipcigan , Vlad P. Sokhan , Jason Crain , Glenn J. Martyna

Constructing atom-resolved states from low-resolution data is of practical importance in many areas of science and engineering. This problem is addressed in this paper in the context of multiscale factorization methods for molecular…

Computational Physics · Physics 2016-04-14 Andrew Abi Mansour , Peter J. Ortoleva

We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several field of theoretical and…

Mathematical Physics · Physics 2017-09-13 Luigi Delle Site , Giovanni Ciccotti , Carsten Hartmann

We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered…

Soft Condensed Matter · Physics 2009-10-31 Hendrik Meyer , Oliver Biermann , Roland Faller , Dirk Reith , Florian Mueller-Plathe

Recent years have witnessed a great research boom in soft matter physics. by now, most advances, however, are of either empirical results or purely mathematical extensions. The major obstacle is lacking of insights into fundamental…

Soft Condensed Matter · Physics 2007-05-23 W. Chen

Starting from the basic path integral in phase space we reconsider the functional approach to the RG flow of the one particle irreducible effective average action. On employing a balanced coarse-graining procedure for the canonical…

High Energy Physics - Theory · Physics 2011-07-08 G. P. Vacca , L. Zambelli

The high temperature equilibrium partition function of a massless real scalar field nonminimally coupled to the scalar curvature is computed at second order in the derivative expansion on a generic stationary background. Using covariant…

High Energy Physics - Theory · Physics 2025-11-06 Manuel Valle , Miguel A. Vazquez-Mozo

We present a systematic semiclassical procedure to compute the partition function for scalar field theories at finite temperature. The central objects in our scheme are the solutions of the classical equations of motion in imaginary time,…

High Energy Physics - Phenomenology · Physics 2010-02-03 A. Bessa , C. A. A. de Carvalho , E. S. Fraga , F. Gelis