Dr James Womack

James is working on a collaborative project with Caltech, aiming to develop new approaches for ab initio MD. James did his PhD in my group, followed by a postdoc in Southampton with Prof Chris Skylaris. He focuses on developing and implementing methods in the entos package.

Dr Janus Eriksen

Janus is self-funded through the Independent Research Fund Denmark, and is joining the group after doing a Humboldt Fellowship with Jürgen Gauss in Mainz. Janus works on many-body expansions applied to the full configuration integration problem.

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

Jillisa Thompson

Jillisa is working on developing continuum solvation models for quantum mechanics and QM/MM in collaboration with the Fey and Manby group. She is funded through the  TMCS CDT.

Harry Stroud

Harry has returned to the Manby group after completing his undergraduate degree here. He is working on periodic DFT and fast ion conduction collaborating with the Allen and Manby group. He is funded through the  TMCS CDT.

Oliver Feighan

Oliver is working on an ab initio MD model of the chromophores involved photosynthesis, as part of a collaborative project funded by the DoE with the groups of Miller and Chan in CalTech.

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.

Undergraduate students

Rui is visiting from Zhejiang University, China, and is here as part of a summer research project. Rui is working with Peter, Alex and Harry on the periodic GFN-xTB method.