PAMOP: Petascale atomic, molecular and optical collision calculations


Autoria(s): Ballance, C. P.; McLaughlin, B. M.; Pindzola, M. S.; Müller, A.
Data(s)

2015

Resumo

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.

Identificador

http://pure.qub.ac.uk/portal/en/publications/pamop-petascale-atomic-molecular-and-optical-collision-calculations(c941970c-9d97-46eb-9e58-f75e3e82e360).html

http://dx.doi.org/10.1007/978-3-319-10810-0_4

Idioma(s)

eng

Publicador

Springer International Publishing

Direitos

info:eu-repo/semantics/restrictedAccess

Fonte

Ballance , C P , McLaughlin , B M , Pindzola , M S & Müller , A 2015 , PAMOP: Petascale atomic, molecular and optical collision calculations . in High Performance Computing in Science and Engineering '14: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014 . High Performance Computing in Science and Engineering '14: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014 , Springer International Publishing , pp. 47-62 . DOI: 10.1007/978-3-319-10810-0_4

Tipo

contributionToPeriodical