کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
518705 867609 2013 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Temporal coarse-graining method to simulate the movement of atoms
موضوعات مرتبط
مهندسی و علوم پایه مهندسی کامپیوتر نرم افزارهای علوم کامپیوتر
پیش نمایش صفحه اول مقاله
Temporal coarse-graining method to simulate the movement of atoms
چکیده انگلیسی

We propose a novel method to simulate the movement of atoms at finite temperature. The main idea of our method is to derive “renormalized,” or coarse-grained in time, dynamics from the Euler–Maruyama scheme, which is the standard method for solving the stochastic differential equations numerically. Based on this renormalization, we propose a new algorithm for solving overdamped Langevin equations. We test our renormalization scheme on two models and demonstrate that the results obtained by this method are consistent with those obtained by the standard method. Our algorithm performs better than the standard scheme, especially at low temperatures and with multiple processors.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Physics - Volume 251, 15 October 2013, Pages 319–326
نویسندگان
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