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 we develop high-quality, developer- and user-friendly, Atomic and Molecular high performance computing codes, in particular the UKRmol+ suite.
We current apply the softwre to the following scientific challenges:
- 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.
- electron and positron-molecule collisions, in particular, the description of electronic excitation and resonance formation. Application to radiation damage, astrophysics and plasma technologies.
- photoionization of small molecules and determination of cross sections, asymmetry parameters, ion yields, etc.
