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Liquid Crystals and their Application
Russian Journal Zhidkie kristally i ikh prakticheskoe ispol'zovanie Жидкие кристаллы и их практическое использование |
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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2011, 3, 76—83. |
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Experience in GPU Applying to Molecular Dynamics
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V. V. Sotsky
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Author affiliations
Ivanovo State University, Nanomaterials Research Institute
153025 Ivanovo, Ermak Str., 39.
E-mail: nv_usoltseva@mail.ru
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Abstract
Algorithms for molecular dynamics allowing numerical experiments on GPU were developed. Acceleration of calculations in comparison with the dual core processor (Intel Core 2 Duo 2.2 GHz) were 28.1 times for GeForce 9800 GT and 49.2 times for GeForce 295 GT.
Keywords: GPU, CUDA, parallel computing, molecular dynamics
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