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Interactive Real-Time 3D Visualization of Grid Portal for Quantum Mechanics

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Computational Science and Its Applications - ICCSA 2006 (ICCSA 2006)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 3980))

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Abstract

This paper describes work-in-progress towards developing grid portal for quantum mechanics (QMWISE) featuring real-time 3D visualization. The goal of QMWISE project is to provide a powerful and convenient system for computational chemistry using grid technologies. In this paper, we propose an environment which enables computational chemists to calculate quantum mechanics problems and explore the result data through interactive real-time 3D visualization.

This work has been supported by KIPA-Information Technology Research Center, University research program by Ministry of Information Communication, Seoul Metropolitan and Brain Korea 21 projects in 2006.

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References

  1. http://www.cambridgesoft.com/

  2. Fox, G.C., Gannon, D.: Computational Grids. IEEE Comput SciEng 3, 74–77 (2001)

    Google Scholar 

  3. Byun, S.-W., Lee, Y.-K., Kwon, Y.-W., Ryu, S.-H., Jeong, C.-S.: Workflow-based grid portal for quantum mechanics. In: Jin, H., Pan, Y., Xiao, N., Sun, J. (eds.) GCC 2004. LNCS, vol. 3252, pp. 625–632. Springer, Heidelberg (2004)

    Chapter  Google Scholar 

  4. Jankun-Kelly, T.J., Kreylos, O., Shalf, J., Ma, K.-L., Hamann, B., Joy, K.I., Bethel, E.W.: Deploying Web-based Visual Exploration Tools on the Grid. IEEE Computer Graphics and Applications 23(2), 40–50 (2003)

    Article  Google Scholar 

  5. Nishikawa, T., Nagashima, U., Sekiguchi, S.: Design and Implementation of Intelligent Scheduler for Gaussian Portal on Quantum Chemistry Grid. In: Sloot, P.M.A., Abramson, D., Bogdanov, A.V., Gorbachev, Y.E., Dongarra, J., Zomaya, A.Y. (eds.) ICCS 2003. LNCS, vol. 2659, pp. 244–253. Springer, Heidelberg (2003), http://www.gaussian.com/

    Chapter  Google Scholar 

  6. Baldridge, K.K., Greenberg, J.P.: Management of Web and Associated Grid Technologies for Quantum Chemistry Computation. In: Sloot, P.M.A., Abramson, D., Bogdanov, A.V., Gorbachev, Y.E., Dongarra, J., Zomaya, A.Y. (eds.) ICCS 2003. LNCS, vol. 2660, pp. 111–121. Springer, Heidelberg (2003)

    Chapter  Google Scholar 

  7. Baldrige, K.K., Greenberg, J.P.: QMView: A computational chemistry three-dimensional visualization tool at the interface between molecules and mankind. J. Mol. Graphics 13, 63–66 (1995)

    Article  Google Scholar 

  8. Baldrige, K.K., Greenberg, J.P.: QMview as a Supramolecular visualization tool in Supramolecular Chemistry. In: Siegel, J. (ed.), pp. 169–177. Kluwer Academic Publishers, Dordrecht (1995)

    Google Scholar 

  9. Baldrige, K.K., Greenberg, J.P., Elbert, S.T., Mock, S., Papadopulos, P.: QMView and GAMESS: integration into the world wide computational grid. In: Proceedings of the 2002 ACM/IEEE conference on Supercomputing, pp. 1–25 (2002)

    Google Scholar 

  10. Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.H., Koseki, S., Matsunaga, N., Nguyen, K.A., Su, S., Windus, T.L., Dupuis, M., Montgomery, J.A.: General Atomic and Molecular Electronic Structure System. J. Comput. Chem 14, 1347–1363 (1993), http://www.msg.ameslab.gov/GAMESS/GAMESS.htmlGAMESSprogram

    Google Scholar 

  11. Vormoor, O.: Quick and easy interactive molecular dynamics using Java3D. Computing in Science & Engineering 3(5), 98–104 (2001)

    Article  Google Scholar 

  12. Hohl, D., Idaszak, R., Jones, R.O.: Quantum molecular modeling with simulated anneal-ing-a distributed processing and visualization application. In: Proceedings of the 1990 conference on Supercomputing, pp. 816–825 (1990)

    Google Scholar 

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Byun, SW., Lee, YK., Jeong, CS. (2006). Interactive Real-Time 3D Visualization of Grid Portal for Quantum Mechanics. In: Gavrilova, M., et al. Computational Science and Its Applications - ICCSA 2006. ICCSA 2006. Lecture Notes in Computer Science, vol 3980. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11751540_25

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  • DOI: https://doi.org/10.1007/11751540_25

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-34070-6

  • Online ISBN: 978-3-540-34071-3

  • eBook Packages: Computer ScienceComputer Science (R0)

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