Article
Article name Architecture of Distributed Software Environment for Theoretical Studies of Chemical Systems
Authors Zvyagintsev N.V. Postgraduate Student, n.zvyagintsev@gmail.com
Gordeev R.N. Candidate of Physical and Mathematical Sciences, Associate Professor, roman.gordeev@mail.ru
Bibliographic description
Section Scientific Research
UDK 519.6
DOI
Article type
Annotation Architecture of distributed software environment for theoretical studies of chemical systems has been proposed. In accordance with the specific of modeling the structure of chemical compounds the proposed architecture is based on three-tier layer software systems. The requirements for this software are: cross-platform, modularity and availability of web-user interfaces. As a tool for developing the technology of Java EE has been chosen. It is assumed that the software environment will be used in the field of bioinformatics and chemoiformatics.
Key words distributed computing, software environment, chemical systems, intelligent systems, data mining.
Article information
References 1. Jensen F. Introduction to Computational Chemistry / F. Jensen 2006. Wiley. 2. Tsirel’son V. Kvantovaya Khimiya. Molekuly, molekulyarnye sistemy i tverdye tela / Tsirel’son V. M.: Binom, 2010. 469 s. 3. Ofitsial’nyi saitWeb-sait programmyGaussian. URL: http://www.gaussian.com/ (data obrashcheniya: 14.02.2014). 4. Ofitsial’nyi sait Web-sait programmy URL: http://www.msg.ameslab.gov/gamess/ (data obrashcheniya: 10.02.2014). 5. Ofitsial’nyi sait Web-sait programmy Tinker. URL: http://dasher.wustl.edu/tinker/(data obrashcheniya: 10.02.2014). 6. Ofitsial’nyi sait Web-sait programmy Gromacs. URL: http://www.gromacs.org/ (data obrashcheniya: 25.01.2014). 7. M. Valiev NWChem: a comprehensive and scalable open-source solution forlarge scale molecular simulations / M. Valiev, E. J. Bylaska, N. Govind, K. Kowalski, T. P. Straatsma, H. J. J. van Dam, D. Wang, J. Nieplocha, E. Apra, T. L. Windus, W. A. de Jong // Comput. Phys. Commun. 2010. Vol. 181. № 1477. 8. The Chemistry Development Kit. URL: http://sourceforge.net/projects/cdk/ (data obrashcheniya: 25.01.2014). 9. Ofitsial’nyi sait Web-sait programmy Jmol. URL: http://www.jmol.org (data obrashcheniya: 14.02.2014). 10. Stat’ya iz Vikepedii. URL: http://en.wikipedia.org/wiki/BIRT_Project (data obrashcheniya: 10.02.2014).
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