We are seeking to recruit another smart, motivated PDRA on a major new project aimed at rebuilding quantum chemistry with vibrational motion built in from the start. This aspect of the project is funded by EPSRC (EP/R014493/1), and will also include a second PDRA position with Prof Peter Knowles in Cardiff.
As we wrote in the case for support:
We will … develop theories and software that treat electrons and bosons [and] capture nuclear degrees of freedom on the same footing, providing a new framework for modelling nonadiabatic processes. Our mixed fermion/boson quantum chemistry will be developed from simple mean-field approximations through to coupled-cluster response theory, providing tools for exploring exact and model Hamiltonians, and for predictively modelling real systems.