Related papers: Coarse-grained collisionless dynamics with long-ra…
This talk provides a critical assessment of collisionless galactic dynamics, focusing on the interpretation and limitations of the collisionless Boltzmann equation and the physical mechanisms associated with collisionless relaxation.…
Coarse-grained (CG) models provide an effective route to reducing the complexity of molecular simulations (MD), but conventional approaches depend heavily on long all-atom MD trajectories to adequately sample configurational space. This…
This work explores the manner in which classical phase space distribution functions converge to the microcanonical distribution. We first prove a theorem about the lack of convergence, then define a generalization of the coarse-graining…
The primary objective of this work is to develop coarse-graining schemes for stochastic many-body microscopic models and quantify their effectiveness in terms of a priori and a posteriori error analysis. In this paper we focus on stochastic…
Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…
We discuss the dynamics and thermodynamics of systems with long-range interactions. We contrast the microcanonical description of an isolated Hamiltonian system to the canonical description of a stochastically forced Brownian system. We…
Coarse-graining is central to reducing dimensionality in molecular dynamics, and is typically characterized by a mapping which projects the full state of the system to a smaller class of variables. While extensive literature has been…
We explore a computational approach to coarse graining the evolution of the large-scale features of a randomly forced Burgers equation in one spatial dimension. The long term evolution of the solution energy spectrum appears self-similar in…
Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it…
We present a real-space formulation for coarse-graining Kohn-Sham Density Functional Theory that significantly speeds up the analysis of material defects without appreciable loss of accuracy. The approximation scheme consists of two steps.…
We present a coarse-graining method applicable to dry scalar active matter with motility regulation. Our approach, based on a multiscale perturbative expansion of the backward Kolmogorov equation, does not rely on any specific microscopic…
Long-range interacting systems, while relaxing to equilibrium, often get trapped in long-lived quasistationary states which have lifetimes that diverge with the system size. In this work, we address the question of how a long-range system…
We develop the kinetic theory of collisionless relaxation for systems with long-range interactions in relation to the statistical theory of Lynden-Bell. We treat the multi-level case. We make the connection between the kinetic equation…
Modeling a high-dimensional Hamiltonian system in reduced dimensions with respect to coarse-grained (CG) variables can greatly reduce computational cost and enable efficient bottom-up prediction of main features of the system for many…
A kinetic equation for the collisional evolution of stable, bound, self gravitating and slowly relaxing systems is established, which is valid when the number of constituents is very large. It accounts for the detailed dynamics and self…
We study coarse-grained (group-level) alignment dynamics of individual-based animal group models for {\it heterogeneous} populations consisting of informed (on preferred directions) and uninformed individuals. The orientation of each…
Gravitational and electrostatic interactions are fundamental examples of systems with long-range interactions. Equilibrium properties of simple models with long-range interactions are well understood and exhibit exotic behaviors : negative…
We systematically derive an exact coarse-grained description for interacting particles with thermodynamically consistent stochastic dynamics, applicable across different observation scales, the mesoscopic and the macroscopic. We implement…
In the paper the possible approaches to the rigorous derivation of the Boltzmann kinetic equation with hard sphere collisions from underlying dynamics are considered. In particular, a formalism for the description of the evolution of…
We apply the linear response theory to systems with long-range interactions described by hydrodynamic equations such as the Euler, Smoluchowski, and damped Euler equations. We analytically determine the response of the system submitted to a…