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Volokhov V. M. Varlamov D. A. Pivushkov A. V. Volokhova A. V. 《Russian Chemical Bulletin》2011,60(7):1508-1515
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. 相似文献
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