Related papers: Coarse-graining dynamics by telescoping down time-…
Dissipative particle dynamics (DPD) belongs to a class of models and computational algorithms developed to address mesoscale problems in complex fluids and soft matter in general. It is based on the notion of particles that represent…
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…
Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is…
We propose a probabilistic model for refining coarse-grained spatial data by utilizing auxiliary spatial data sets. Existing methods require that the spatial granularities of the auxiliary data sets are the same as the desired granularity…
Coarse-grained molecular dynamics often sacrifices accuracy and transferability for computational efficiency, but the use of machine learned potentials is helping coarse-grained models attain performance on par with atomistic molecular…
While the issues of dissipation, fluctuations, noise and decoherence in open quantum systems (with autocratic divide) analyzed via Langevin dynamics are familiar subjects, the treatment of corresponding issues in closed quantum systems is…
The Weak-form Sparse Identification of Nonlinear Dynamics algorithm (WSINDy) has been demonstrated to offer coarse-graining capabilities in the context of interacting particle systems (https://doi.org/10.1016/j.physd.2022.133406). In this…
Granular materials such as sand, powders, and food grains are ubiquitous in civil engineering, geoscience, agriculture, and medicine. While the influence of friction between the grains on the static structure of these systems is well…
We show by means of experiments, theory and simulations, that the slow dynamics of coarsening systems displays dynamic heterogeneity similar to that observed in glass-forming systems. We measure dynamic heterogeneity via novel multi-point…
Given a fine-scale physical theory characterized by an evolutionary system of equations and a set of quantities, defined from the variables of the fine theory, that serve as a coarse representation of the fine scale phenomena, a systematic…
We review some recent methods of subgrid-scale parameterization used in the context of climate modeling. These methods are developed to take into account (subgrid) processes playing an important role in the correct representation of the…
A fuzzy observable is regarded as a smearing of a sharp observable, and the structure of covariant fuzzy observables is studied. It is shown that the covariant coarse-grainings of sharp observables are exactly the covariant fuzzy…
Mesoscopic particle based fluid models, such as dissipative particle dynamics, are usually assumed to be coarse-grained representations of an underlying microscopic fluid. A fundamental question is whether there exists a map from…
Due to the wide range of timescales that are present in macromolecular systems, hierarchical multiscale strategies are necessary for their computational study. Coarse-graining (CG) allows to establish a link between different system…
Fluctuations in small biological systems can be crucial for their function. Large-deviation theory characterizes such rare events from the perspective of stochastic processes. In most cases it is very difficult to directly determine the…
Understanding the emergence of macroscopic irreversible hydrodynamics from the reversible unitary dynamics of isolated quantum many-body systems remains a fundamental challenge. Conventional approaches often force spin density dynamics into…
Granular materials are involved in most industrial and environmental processes, as well as many civil engineering applications. Although significant advances have been made in understanding the statics and dynamics of cohesionless grains…
Recent advancements in robotic grasping have led to its integration as a core module in many manipulation systems. For instance, language-driven semantic segmentation enables the grasping of any designated object or object part. However,…
We explain a method, inspired by control theory model reduction and interpolation theory, that rigorously establishes the types of coarse graining that are appropriate for systems with quadratic, generalized Hamiltonians. For such systems,…
We present few ordering mechanisms in block copolymer melts in the coarse-graining approach. For chemically homogeneous or modulated confining surfaces, the surface ordering is investigated above and below the order-disorder temperature. In…