On the Structuring of the Computational Chemistry Virtual Organization COMPCHEM

  • Antonio Laganà
  • Antonio Riganelli
  • Osvaldo Gervasi
Part of the Lecture Notes in Computer Science book series (LNCS, volume 3980)


The first moves to structure the COMPCHEM Grid virtual organization of the computational chemistry community are discussed. A tool based on a credit system developed to guarantee its sustainability is presented.


Molecular Simulator Virtual Community Grid Environment Management Committee Virtual Organization 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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  1. 1.
  2. 2.
    Preparatory wokshop METACHEM, Brussels, and Action D23 of COST in Chemistry Memorandum of understanding (November 1999) see,
  3. 3.
    D23 Final evaluation workshop, ETH, zurich (October 2005)Google Scholar
  4. 4.
    Enabling Grids for E-Science in Europe (EGEE),
  5. 5.
    Gervasi, O., Cicoria, D., Laganà, A., Baraglia, R.: Pixel, 10, 19 (1944)Google Scholar
  6. 6.
    Gervasi, O., Laganà, A.: Future Generation Computer Systems 20(5), 703 (2004)CrossRefGoogle Scholar
  7. 7.
    Laganà, A.: Towards a Grid Based universal molecular simulator in Theory of Chemical Reaction Dynamics, In: Laganà, A., Lendvay, G. (eds.) p. 333. Kluwer, Dordrecht (2004)Google Scholar
  8. 8.
    Gervasi, O., Dittamo, C., Laganá, A.: A grid molecular simulator for E-science. In: Sloot, P.M.A., Hoekstra, A.G., Priol, T., Reinefeld, A., Bubak, M. (eds.) EGC 2005. LNCS, vol. 3470, pp. 16–22. Springer, Heidelberg (2005)CrossRefGoogle Scholar
  9. 9.
    MIUR, Project RBNE01KNFP, High performance Grid Platforms and Tools,
  10. 10.
    Vanneschi, M.: The programming model of Assist, an environment of parallel and distributed portable applications. Parallel computing 28, 12 (2002)CrossRefGoogle Scholar
  11. 11.
    Borgia, D.: SIMBEX: raccordo tra calcoli di dinamica e di struttura elettronica, Tesi di laurea, Università di Perugia (2005)Google Scholar
  12. 12.
    Storchi, L., Tarantelli, F., Laganà, A.: Computing Molecular Energy Surfaces on a Grid. In: Gavrilova, M.L., Gervasi, O., Kumar, V., Tan, C.J.K., Taniar, D., Laganá, A., Mun, Y., Choo, H. (eds.) ICCSA 2006. LNCS, vol. 3980, pp. 675–683. Springer, Heidelberg (2006)CrossRefGoogle Scholar
  13. 13.
    First Egee Application Migration Report, 2005, EGEE-DNA4.3.1.523422-v4-7-13.doc; First Egee review workshop, Geneva, February 8-11 (2005),
  14. 14.
    The Gilda portal,
  15. 15.
    The Genius portal,

Copyright information

© Springer-Verlag Berlin Heidelberg 2006

Authors and Affiliations

  • Antonio Laganà
    • 1
  • Antonio Riganelli
    • 2
  • Osvaldo Gervasi
    • 3
  1. 1.Department of ChemistryUniversity of PerugiaPerugiaItaly
  2. 2.Master-up s.r.l.PerugiaItaly
  3. 3.Department of Mathematics and Computer ScienceUniversity of PerugiaPerugiaItaly

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