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A Web Based Application to Fit Potential Energy Functionals to ab Initio Values

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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

The implementation of a prototype Internet portal devoted to the fitting of ab initio potential energy values for three atom reactions is discussed. The application has been designed to run as a part of a Grid simulator of molecular processes.

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References

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy

    Leonardo Arteconi & Antonio Laganà

  2. Department of Mathematics and Computer Science, University of Perugia, via Vanvitelli, 1, 06123, Perugia, Italy

    Leonardo Pacifici

Authors
  1. Leonardo Arteconi
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  2. Antonio Laganà
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  3. Leonardo Pacifici
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Editor information

Editors and Affiliations

  1. Department of Computer Science, University of Calgary, 2500 University Drive N.W., T2N 1N4, Calgary, AB, Canada

    Marina Gavrilova

  2. Department of Mathematics and Computer Science, University of Perugia, via Vanvitelli, 1, I-06123, Perugia, Italy

    Osvaldo Gervasi

  3. William Norris Professor, Head of the Computer Science and Engineering Department, University of Minnesota, USA

    Vipin Kumar

  4. OptimaNumerics Ltd., Cathedral House, 23-31 Waring Street, BT1 2DX, Belfast, UK

    C. J. Kenneth Tan

  5. Clayton School of IT, Monash University, 3800, Clayton, Australia

    David Taniar

  6. Department of Chemistry, University of Perugia, Via Elce di Sotto, 8, I-06123, Perugia, Italy

    Antonio Laganá

  7. School of Computing, Soongsil University, Seoul, Korea

    Youngsong Mun

  8. School of Information and Communication Engineering, Sungkyunkwan University, Korea

    Hyunseung Choo

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© 2006 Springer-Verlag Berlin Heidelberg

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Cite this paper

Arteconi, L., Laganà, A., Pacifici, L. (2006). A Web Based Application to Fit Potential Energy Functionals to ab Initio Values. 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_73

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  • DOI: https://doi.org/10.1007/11751540_73

  • 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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