PAMOP: Petascale atomic, molecular and optical collision calculations

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

Research output: Chapter in Book/Report/Conference proceedingChapter

4 Citations (Scopus)

Abstract

Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schr\"odinger 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 from 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.
Original languageEnglish
Title of host publicationHigh Performance Computing in Science and Engineering '14: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014
PublisherSpringer International Publishing
Pages47-62
Number of pages16
ISBN (Print)9783319108100
DOIs
Publication statusPublished - 2015

Publication series

NameHigh Performance Computing in Science and Engineering '14: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014

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