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Application of Grid technology in computational chemistry

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Abstract

The key trends and prospects of development of computational chemistry that formed in the early 2010s are considered. The most advanced methods for solution of various types of challenges in the computational and quantum chemistry by calculations in the distributed environments (Grid) and on high-performance supercomputer installations and the application methods of parallel and distributed computations are demonstrated; the tailor-made technologies developed for these calculations are described.

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References

  1. V. M. Volokhov, D. A. Varlamov, A. V. Pivushkov, G. A. Pokatovich, N. F. Surkov, Vychislitel’nye metody i programmirovanie [Computational Methods and Programming], Izd. MGU, Moscow, 2010, 11, 175 (in Russian).

    Google Scholar 

  2. V. M. Volokhov, D. A. Varlamov, A. V. Pivushkov, N. F. Surkov, G. A. Pokatovich, Vychislitel’nye metody i programmirovanie [Computational Methods and Programming], Izd. MGU, Moscow, 2009, 10, 224 (in Russian).

    Google Scholar 

  3. V. M. Volokhov, D. A. Varlamov, A. V. Volokhov, A. V. Pivushkov, G. A. Pokatovich, N. F. Surkov, Nauchnyi servis v seti Internet: superkomp’yuternye tsentry i zadachi (Scientific Service on the Internet: Supercomputer Centers and Problems) (Novorossiisk, September 20–25, 2010), Abstr., Izd. MGU, Moscow, 2010, 107 (in Russian).

    Google Scholar 

  4. D. A. Varlamov, V. M. Volokhov, N. F. Surkov, A. V. Pivushkov, Parallel’nye vychislitel’nye tekhnologii 2010 (PaVT-2010) (Parallel Computational Technologies) (Ufa, March 2010), Abstr., Izd. YuUrGU, Chelyabinsk, 63 (in Russian)

  5. V. M. Volokhov, A. V. Pivushkov, A. V. Volokhov, D. A. Varlamov, X Intern. Conf. “Vysokoproizvoditel’nye parallel’nye vychisleniya na klasternykh sistemakh” (HPC-2010) (High-Performance Parallel Computations on Cluster Systems) (Perm’, November, 2010), Abstr., Izd PGTU, Perm’, 2010, 1, 119 (in Russia

    Google Scholar 

  6. V. M. Volokhov, A. V. Pivushkov, N. F. Surkov, D. A. Varlamov, A. V. Volokhov, Nauchnyi servis v seti Internet: superkomp’yuternye tsentry i zadachi (Scientific Service on the Internet: Supercomputer Centers and Problems) (Novorossiisk, September 20–25, 2010), Abstr., Izd. MGU, Moscow, 2010, 181 (in Russian).

    Google Scholar 

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Authors and Affiliations

  1. Institute of Problems of Chemical Physics, Russian Academy of Sciences, 1 prosp. Akad. Semenova, 142432, Chernogolovka, Moscow Region, Russian Federation

    V. M. Volokhov, D. A. Varlamov, A. V. Pivushkov & A. V. Volokhova

  2. Institute of Experimental Mineralogy, Russian Academy of Sciences, 4 ul. Akad. Osip’yana, 142432, Chernogolovka, Moscow Region, Russian Federation

    D. A. Varlamov

Authors
  1. V. M. Volokhov
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  2. D. A. Varlamov
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  3. A. V. Pivushkov
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  4. A. V. Volokhova
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Corresponding author

Correspondence to D. A. Varlamov.

Additional information

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1483–1490, July, 2011.

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Volokhov, V.M., Varlamov, D.A., Pivushkov, A.V. et al. Application of Grid technology in computational chemistry. Russ Chem Bull 60, 1508–1515 (2011). https://doi.org/10.1007/s11172-011-0225-5

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  • DOI: https://doi.org/10.1007/s11172-011-0225-5

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