کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
6919147 1447799 2018 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Efficiencies of joint non-local update moves in Monte Carlo simulations of coarse-grained polymers
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Efficiencies of joint non-local update moves in Monte Carlo simulations of coarse-grained polymers
چکیده انگلیسی
In this study four update methods are compared in their performance in a Monte Carlo simulation of polymers in continuum space. The efficiencies of the update methods and combinations thereof are compared with the aid of the autocorrelation time with a fixed (optimal) acceptance ratio. Results are obtained for polymer lengths N=14, 28 and 42 and temperatures below, at and above the collapse transition. In terms of autocorrelation, the optimal acceptance ratio is approximately 0.4. Furthermore, an overview of the step sizes of the update methods that correspond to this optimal acceptance ratio is given. This shall serve as a guide for future studies that rely on efficient computer simulations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 224, March 2018, Pages 222-229
نویسندگان
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