HIGH-PERFORMANCE SOFTWARE FOR NANO-DIMENSIONAL ATOM-MOLECULE SYSTEMS MODELING
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Approach for building of next-generation high-performance software aimed at nanostructure and nanocomplex modeling within the bounds of iPSE concept is proposed. Proof of high-level architecture of this software is given; structure and purposes of main problem-oriented services are defined; issues of human-computer interaction organization, data- and knowledge management, results visualization are considered.
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