New PDRA position in Theoretical Chemistry

New postdoctoral research associate position is available under the New Directions in Molecular Scattering Programme Grant. The postholder will work under the supervision of Prof Martin Paterson, in collaboration with Profs Kenneth McKendrick and Matthew Costen, and Dr Stuart Greaves. The post is based at Heriot-Watt and will involve close collaboration, with Profs Mark Brouard, Stuart Mackenzie and Claire Vallance at University of Oxford.

Job ref. IRC30059: or via at The deadline for the application is 14 January 2020. 

The successful candidate will undertake advanced multi-reference electronic structure calculations of non-adiabatically coupled potential energy surfaces, and associated dynamical simulation, of quenching and reactive scattering processes. The role will involve the use of multi-reference approaches via several codes (e.g., Molpro, Molcas etc) and will require experience of using these in regions of strong non-adiabatic coupling (e.g., near conical intersections). Simulation over these surfaces will also be undertaken using a variety of quantum dynamics methods such as on-the-fly trajectory surface hopping. This post in scattering dynamics will complement other researchers in the theoretical photochemistry group who are developing and applying quantum dynamics methods to ultrafast photochemistry through recently funded grants. A close interplay is expected between these theoretical researchers. 

Informal enquiries can be made to Prof Martin Paterson, at

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