Group

Postdocs

Dr Susannah Bourne-Worster

Susannah won an Royal Commission 1851 fellowship to work for three years on development of theories for energy transport in biological and artificial photosynthetic systems. She works jointly with Fred and with Prof Noah Linden in the School of Mathematics.

Dr Fidel Batista Romero

Fidel is a Royal Society Newton International Fellow, working on quasiparticle-based quantum-polarization models.

Dr Thomas Dresselhaus

Thomas has recently joined the group is currently working on our EPSRC-funded project on nonadiabatic dynamics implemented in a quantum chemistry framework.

Dr Alex Buccheri

Alex is working jointly with Prof Neil Allan and with Fred on a project to incorporate density-functional tight binding functionality in the DL_POLY simulation code. He is funded by EPSRC EP/P022308/1.

Dr Peter Bygrave

Peter is our primary C++ guru on the entos software project. Peter did his PhD in my group, before doing a postdoc position in Southampton with Prof Graeme Day. He looks after software engineering and method implementation for specific industrial goals in the entos package.

Graduate students

Zack Williams

Zack is working on developing our work on the Unsöld approximation in DFT into usable functionals, and fast implementation of them in the entos project. He is funded through the TMCS CDT.

Callum Bungey

Callum is working on the coupled electron-vibration problem, in particular working on the theory of mixed fermion/boson coupled cluster. Callum is funded through the TMCS CDT.

Tim Wiles

Tim is currently working on the use of Unsöld-type approximations to make a novel class of correlation density functionals. He is also doing great stuff looking after entos. Tim is funded through the TMCS CDT.

TMCS project studentslogo_screen

We’ll be welcoming more TMCS project students around Easter.

Undergraduate students

Currently Chris Haggard and Oliver Feighan are working in the group on undergraduate projects. Chris is working on understanding how nuclear-electronic molecular orbital theories capture correlations through broken-symmetry mean-field wavefunctions; and Oliver is working on methods to generate superb initial guess wavefunctions for SCF calculations on transition-metal complexes.