Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not?
نویسندگان
چکیده
منابع مشابه
Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not?
In the waste recycling Monte Carlo (WRMC) algorithm, (1) multiple trial states may be simultaneously generated and utilized during Monte Carlo moves to improve the statistical accuracy of the simulations, suggesting that such an algorithm may be well posed for implementation in parallel on graphics processing units (GPUs). In this paper, we implement two waste recycling Monte Carlo algorithms i...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2011
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct200474j