Our research focusses on developing software to model molecular processes initiated by electrons, positrons and photons involving the electronic continuum using mainly R-matrix based approaches. Together with colleagues in the UK and abroad I develop high-quality, developer- and user-friendly, Atomic and Molecular high performance computing codes, in particular the UKRmol+ suite.

I current apply the softwre to the following scientific challenges:

  • electron and positron-molecule collisions, in particular, the description of electronic excitation and resonance formation. Application to radiation damage, astrophysics and plasma technologies.
  • environment mediated and enhanced electron induced processes, in particular the effect of microhydration on resonance formation in biologically relevant molecules and novel processes like interatomic coulumbic charge exchange.
  • photoionization of small molecules and determination of cross sections, asymmetry parameters, ion yields, etc.

PhD project available for February 2024 start

Environment effects in electron scattering from molecules

The deadline for formal applications is 28 June 2023. Interviews will take place in mid_February. For an informal discussion of this opportunity contact Jimena as soon as possible: Jimena.Gorfinkiel@open.ac.uk. For details on how to apply see the bottom of this page.

Applicants must have graduated (or be about to graduate) with a degree in Physics, Chemistry or a related discipline and possess good undergraduate-level knowledge of atomic and molecular physics and/or theoretical chemistry. Experience of use of Linux or high-performance computing environments and software writing experience are also desirable but not essential.

Details of the project can be found here.

Special Issues

A Special Issue on Software for attosecond chemistry is being put together in Computer Physics Communications. The Guest Editors are Fernando Martin, Luca Argenti and Jimena D. Gorfinkiel. See here for more details.

A Special Issue on Scattering Beyond the Gas Phase is being put together in Journal of Physics B: Atomic, Molecular and Optical Physics. The Guest Editors are Anne Lafosee, Aleksandar Milosavljevic, Jimena D. Gorfinkiel and James Sullivan. See here for more details.