13 research outputs found
PAMOP: Petascale atomic, molecular and optical collision calculations
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.Comment: 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-