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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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Rus Eng


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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2011, 3, 76—83.

Experience in GPU Applying to Molecular Dynamics

V. V. Sotsky

Author affiliations
Ivanovo State University, Nanomaterials Research Institute
153025 Ivanovo, Ermak Str., 39. 

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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