Grid-Technology for Chemical Reactions Calculation

Part of the Lecture Notes in Computer Science book series (LNCS, volume 5890)


We discuss a possible strategy for implementing a grid-based approach to realizing the immense computational resources required to compute reactive molecular scattering cross sections and rate constants.


Potential Energy Surface Grid Technology Lagrange Surface Reactive Scattering Multichannel Scattering 
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© Springer-Verlag Berlin Heidelberg 2010

Authors and Affiliations

  1. 1.School of ChemistryUniversity of BristolBristolUK
  2. 2.Institute for High Performance Computing and Integrated SystemsSt.-PetersburgRussia
  3. 3.Institute for Informatics and Automation ProblemsNAS of ArmeniaYerevan
  4. 4.St.-Petersburg State Polytechnical UniversitySt.-PetersburgRussia
  5. 5.Yerevan Physical InstituteYerevan
  6. 6.Goteborg UniversityGoteborgSweden

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