PAMOP: Petascale Atomic, Molecular and Optical Collision Calculations

B. M. McLaughlin (), C. P. Ballance (), M. S. Pindzola () and A. Müller ()
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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

A chapter in High Performance Computing in Science and Engineering ‘14, 2015, pp 47-61 from Springer

Abstract: 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.

Keywords: Advance Light Source; Optical Collision; Accurate Cross Section; Suitable Agreement; SOLEIL Synchrotron (search for similar items in EconPapers)
Date: 2015
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DOI: 10.1007/978-3-319-10810-0_4

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