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PAMOP: Petascale Atomic, Molecular and Optical Collision Calculations

In: High Performance Computing in Science and Engineering ‘14

Author

Listed:
  • B. M. McLaughlin

    (The David Bates Building, Queen’s University, School of Mathematics & Physics, Centre for Theoretical Atomic, Molecular and Optical Physics (CTAMOP))

  • C. P. Ballance

    (Auburn University, Department of Physics)

  • M. S. Pindzola

    (Auburn University, Department of Physics)

  • A. Müller

    (Justus-Liebig-Universität Giessen, Institut für Atom- und Molekülphysik)

Abstract

Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schrödinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach. We briefly outline the parallel methodology used and implemented for the current suite of Breit-Pauli and DARC codes. In this report, various examples are shown of our theoretical results compared with experimental results obtained from Synchrotron Radiation facilities where the Cray architecture at HLRS is playing an integral part in our computational projects.

Suggested Citation

  • B. M. McLaughlin & C. P. Ballance & M. S. Pindzola & A. Müller, 2015. "PAMOP: Petascale Atomic, Molecular and Optical Collision Calculations," Springer Books, in: Wolfgang E. Nagel & Dietmar H. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering ‘14, edition 127, pages 47-61, Springer.
    • Handle: RePEc:spr:sprchp:978-3-319-10810-0_4
    DOI: 10.1007/978-3-319-10810-0_4
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