Group

Postdocs

Dr Thomas Dresselhaus

Thomas has recently joined the group and will be working on our EMFT embedding project.

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 Takashi Tsuchiyaentos-logo

Takashi is working on implementation of embedded mean-field theory (and related things) in our new entos software package. He is funded by EPSRC EP/M013111/1.

Graduate students

Rocco Meli

Rocco is working on periodic boundary conditions in entos, and is planning an investigation into correlated extensions of embedded mean-field theory. 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.

entos-logo

entos-logo

Felix Vaughan

Felix works on modelling energy transport in photosynthesis, in particular modelling system/bath interactions in model hamiltonians parameterised to model purple bacteria LH2. Felix is funded through the BCCS CDT, and co-supervised by Prof Noah Linden.

TMCS project studentslogo_screen

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

Undergraduate students

Currently Harry Stroud, Joe Harper and Rich Hall are working in the group on undergraduate projects. Harry is working on mean-field and CI approaches for vibronic model Hamiltonians for pyrazine; Joe is doing embedding calculations to compute the effect of nanotubes on water-water interactions; and Rich is investigating variants of Delta-SCF for valence excited states of small chromophores.