کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
503675 863796 2010 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Implementation and performance analysis of bridging Monte Carlo moves for off-lattice single chain polymers in globular states
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Implementation and performance analysis of bridging Monte Carlo moves for off-lattice single chain polymers in globular states
چکیده انگلیسی

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=1000N=1000, independent configurations can be generated up to two orders of magnitude faster than with slithering snake moves.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 181, Issue 4, April 2010, Pages 800–805
نویسندگان
, ,