PAMOP: Petascale Atomic, Molecular and Optical Collision Calculations
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.
Cite
@article{arxiv.1501.03345,
title = {PAMOP: Petascale Atomic, Molecular and Optical Collision Calculations},
author = {Brendan M. McLaughlin and Connor P. Ballance and Michael S. Pindzola and Alfred Müller},
journal= {arXiv preprint arXiv:1501.03345},
year = {2015}
}
Comments
16 pages, 6 figures, Chapter 4, in High Performance Computing in Science and Engineering 2014, edited by W. E. Nagel, D. B. Kroner, and M. Reich (Springer, New York and Berlin, 2014). http://www.springer.com/mathematics/computational+science+%26+engineering/book/978-3-319-10809-4