کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
503015 863736 2011 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Optimizing event-driven simulations
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Optimizing event-driven simulations
چکیده انگلیسی

Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particles can be modeled as hard objects or more generally if their interaction potential can be modeled in a stepwise fashion. Hard spheres model has been indeed widely used both for the computational and theoretical description of physical systems. Recently further developments of computational techniques allow simulations of hard rigid objects of generic shape. In the present paper we will present some optimizations for event-driven simulations that offered a significant speedup over previous methods. In particular we will describe a generalization of the well-known linked cell list method and an improvement on the nearest neighbor list method recently proposed by us.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 182, Issue 9, September 2011, Pages 1846–1850
نویسندگان
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