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UK R-matrix Atomic and Molecular Physics HPC Code

Dr Jimena Gorfinkiel is a Senior Lecturer in the Department of Physical Sciences at The Open University.

This project is funded by EPSRC and undertaken by The OU in collaboration with academics at Queen's University, Belfast, University College London (UCL), and Science and Technology Facilities Council (STFC) Computational Science and Engineering Department (CSE). The aim of the project is to produce a suite of computer programs that is able to fully exploit current and future high performance computing capabilities to produce information on electron-molecule scattering and atomic and molecular photon-induced processes. Starting from available codes, the aim is to produce a high quality unified suite that will be made freely available to UK researchers. This new suite will enable users to perform calculations on a variety of systems (e.g. biological molecules) and processes (e.g. multiphoton molecular double ionization) that cannot be studied with the current capabilities. It is expected that the software developed will form the basis of the research carried out by the groups involved during the next 10-20 years.