The CGMD method is used to investigate large systems [239]. In this method, each molecule in the polymer chain is coarse-grained and the polymer is represented as a chain of connected beads. It is modeled as a sphere of a defined mass that repels each other via the Weeks-Chandler-Anders...
In this paper, a new coarse-graining method based on hierarchical clustering (HCCG) on complex networks is proposed. The network nodes are grouped by using the hierarchical clustering method, then updating the weights of edges between clusters extract the coarse-grained networks. A large number of...
This contribution considers a two-grid coarse-graining method that determines a local porosity for each particle using a radical Voronoi tessellation of the system. A relatively fine, regular point cloud is used to map these local porosity data to the CFD cells. The method is evaluated using ...
We have proposed and presented a coarse-grained (CG) model of Ethylammonium Nitrate (EAN) using the effective field coarse graining (EFCG) approach. Using coarse-graining, the number of particles required to simulate EAN were reduced from 15 atoms to just 4 CG sites. The effects of long-ra...
Monte Carlo method for sampling equilibrium distributions for stochastic lattice models, capable of handling correctly long and short-range particle interactions... E Kalligiannaki,MA Katsoulakis,P Plecháč - Springer Berlin Heidelberg 被引量: 1发表: 2012年 Numerical schemes for coarse-graining of...
Recently another approach has been developed to deal mathematically with the problem of long ranged interactions, known as the Fast Multipole Method (FMM). The original mathematical development of this method is rather complicated, but it has a simple physical interpretation for magnetic systems....
This method enables low-complexity compression for extremely large networks, offering a multiscale perspective that preserves information flow in biological, social, and technological networks better than existing methods mostly focused on network structure.#Information dynamics are key in complex systems. ...
Interestingly, prior works using this method for spin and ionic systems did not clearly elaborate on the specifics of its close relationship to the RG theory. Here, we point out these connections, and demonstrate how to generalize the method to achieve an arbitrarily high accuracy. We start by...
The method allows us to perform a coarse graining of an already coarse–grained level of description in which fluctuations are important. The initial level of description is described by a Fokker–Planck equation and, under suitable approximations, the final slower level of description is also ...
We propose a method to build full-atomistic (FA) amorphous polymer structures using reverse-mapping from coarse-grained (CG) models. In this method, three ... H Nitta,T Ozawa,K Yasuoka - 《Journal of Chemical Physics》 被引量: 0发表: 2023年 Combination of Hybrid Particle-Field Molecular ...