Information loss in coarse graining of polymer configurations via contact matrices
@article{Ferrari2002InformationLI, title={Information loss in coarse graining of polymer configurations via contact matrices}, author={Patrik L. Ferrari and Joel L. Lebowitz TU-Muenchen and Rutgers University}, journal={Journal of Physics A}, year={2002}, volume={36}, pages={5719-5730} }
Contact matrices provide a coarse grained description of the configuration ω of a linear chain (polymer or random walk) on n: ij(ω) = 1 when the distance between the positions of the ith and jth steps are less than or equal to some distance a and ij(ω) = 0 otherwise. We consider models in which polymers of length N have weights corresponding to simple and self-avoiding random walks, SRW and SAW, with a the minimal permissible distance. We prove that to leading order in N, the number of matrices…
4 Citations
Information Loss in Coarse-Graining of Stochastic Particle Dynamics
- Computer Science
- 2006
This work rigorously compute in terms of specific relative entropy the information loss between non-equilibrium exact and approximating coarse-grained adsorption/desorption lattice dynamics and proves this error to be small as long as the level of coarsening is small compared to the range of interaction of the microscopic model.
Error control and analysis in coarse-graining of stochastic lattice dynamics
- Computer Science
- 2005
Analytical and numerical evidence is provided that the hierarchy of the coarse models is built in a systematic way that allows for the error control of quantities that may also depend on the path.
Migration of substructures in complex fluids
- Geology
- 2005
Migration of substructures in complex fluids at meso-, micro- and nano-level is described in the hydrodynamic range. We show that the primary mechanism ruling this kind of transport leading to…
References
SHOWING 1-10 OF 27 REFERENCES
STATISTICAL PROPERTIES OF CONTACT MAPS
- Mathematics
- 1999
The number of contact maps corresponding to the possible configurations of a polypeptide chain of N amino acids, represented by (N-1)-step self avoiding walks on a lattice, grows exponentially with N for all dimensions D>1.
Universal fluctuations in the support of the random walk
- Mathematics
- 1997
A random walk starts from the origin of ad-dimensional lattice. The occupation numbern(x,t) equals unity if aftert steps site x has been visited by the walk, and zero otherwise. We study…
Topology of the support of the two-dimensional random walk
- Mathematics
- 1996
We study the support (i.e. the set of visited sites) of a t step random walk on a two-dimensional square lattice in the large t limit. A broad class of global properties M(t) of the support is…
The self-avoiding walk
- Physics
- 1991
The self-avoiding walk is a mathematical model with important applications in statistical mechanics and polymer science. This text provides a unified account of the rigorous results for the…
Statistical properties of the set of sites visited by the two-dimensional random walk
- Mathematics
- 1997
We study the support (i.e. the set of visited sites) of a t-step random walk on a two-dimensional square lattice in the large t limit. A broad class of global properties, M(t), of the support is…
Effects of distance constraints on macromolecular conformation. II. Simulation of experimental results and theoretical predictions
- Chemistry
- 1979
By generating classes of random structures for trypsin inhibitor and carp myogen, each consistent with a given set of experimental or theoretical information, we have assessed the relative utility of…
Direct evaluation of thermal fluctuations in proteins using a single-parameter harmonic potential.
- PhysicsFolding & design
- 1997
Propriétés d'intersection des marches aléatoires
- Mathematics
- 1986
We study intersection properties of multi-dimensional random walks. LetX andY be two independent random walks with values in ℤd (d≦3), satisfying suitable moment assumptions, and letIn denote the…
A large-deviation result for the range of random walk and for the Wiener sausage
- Mathematics
- 2001
Abstract. Let {Sn} be a random walk on ℤd and let Rn be the number of different points among 0, S1,…, Sn−1. We prove here that if d≥ 2, then ψ(x) := limn→∞(−:1/n) logP{Rn≥nx} exists for x≥ 0 and…