Modelling charge and energy transport and structure in organic and hybrid devices and proteins

The aim is to use multiscale modelling techniques on length scales from molecular to macroscopic dimensions, backed up by experimental measurements, to understand the dynamics of charge and energy transport in inorganic and organic materials and how the molecular packing influences transport. These models are applied to study novel solar cells such as the recently discovered perovskite cells [1] and all organic cells [2]. My group also models organic light emitting devices and field effect transistors used in plastic electronics. Modelling is essential to find ways of improving organic devices and perovskite solar cells so that they are efficient enough and last long enough to be exploited.

A related activity is modelling how the flexibility and dynamics of proteins such as the enzyme citrate synthase drives their functional activity [3].

Our work is motivated by academic and industrial experimental groups at Bath and elsewhere. I have many international links, for example through EU funded projects: the European Training Network MAESTRO (MAking pErovskiteS TRuly explOitable) that I coordinate, the Horizon2020 Research Project Extmos, EXTended Model of Organic Semiconductors that I also coordinate, and the Horizon2020 Infrastructure Project EoCoE Energy Oriented Centre of Excellence for Computer Applications for which I am Bath Team Leader.

Training is also available linked to the UK funded Centre for Doctoral Training in New and Sustainable PV, CDT-PV, for which I am Academic Director.

For further information, please contact me, Prof Alison Walker, email [Email Address Removed], and see my web pages on http://people.bath.ac.uk/pysabw/. These webpages contain videos explaining my research, technical details on what I model and links to all my publications.

Applicants should hold, or expect to receive, a first class or good upper second class honours degree, or the equivalent from an overseas university. A master’s level qualification would also be advantageous. Some experience of programming in any of C, Python, Matlab or similar languages is necessary.

Informal enquiries should be directed to Prof Alison Walker ([Email Address Removed]).

Formal applications should be made via the University of Bath’s online application form for a PhD in Physics:
https://www.bath.ac.uk/samis/urd/sits.urd/run/siw_ipp_lgn.login?process=siw_ipp_app&code1=RDUPH-FP01&code2=0012

More information about applying for a PhD at Bath may be found here:
http://www.bath.ac.uk/guides/how-to-apply-for-doctoral-study/