Paper Info
Title
Implementation and performance analysis of bridging Monte Carlo moves for off-lattice single chain polymers in globular states
Abstract
Bridging algorithms are global Monte Carlo moves which allow for an efficient sampling of single polymer chains. In this manuscript we discuss the adaptation of three bridging algorithms from lattice to continuum models, and give details on the corrections to the acceptance rules which are required to fulfill detailed balance. For the first time we are able to compare the efficiency of the moves by analyzing the occurrence of knots in globular states. For a flexible homopolymer chain of length N=1000, independent configurations can be generated up to two orders of magnitude faster than with slithering snake moves.
Year
DOI
Venue
2010
10.1016/j.cpc.2009.12.012
Computer Physics Communications
Keywords
Field
DocType
Off-lattice Monte Carlo simulations,Globular polymers,Knots
Monte Carlo method in statistical physics,Statistical physics,Monte Carlo method,Markov chain Monte Carlo,Computer science,Hybrid Monte Carlo,Kinetic Monte Carlo,Dynamic Monte Carlo method,Monte Carlo molecular modeling,Quantum Monte Carlo
Journal
Volume
Issue
ISSN
181
4
0010-4655
Citations 
PageRank 
References 
3
1.14
2
Authors
2
Name
Order
Citations
PageRank
Daniel Reith131.48
Peter Virnau218019.44