PhD Studentship in Non-adiabatic Molecular Dynamics

About the Project

Atomistic Simulation of electronically excited processes in molecules and materials is essential for our understanding of the working principles of emerging energy conversion technologies, e.g. solar cells and thermoelectrics made from organic materials. The overall aim of this project is to further develop our recently introduced non-adiabatic molecular dynamics simulation method, termed excitonic state-based surface hopping (X-SH). Applications in collaboration with experimental groups aim to understand at atomistic resolution how electronic excitations (“excitons”) dissociate to charge carriers in single-component organic solar cell materials and how a temperature gradient is converted to electricity in organic thermoelectrics. An important aim of the simulations us to derive generally applicable guidelines for the design of improved organic materials. Interested candidates may want to take a look at our recent work, https://www.nature.com/articles/s41467-022-30308-5 and https://www.science.org/doi/10.1126/sciadv.adr1758

Due to restrictions by the funder, this studentship is open only to candidates from the UK or from the EU with pre-settled status in the UK. Please refer to the following website for eligibility criteria: https://www.ucl.ac.uk/prospective-students/graduate/research-degrees/physics-and-astronomy-mphil-phd. The studentship will cover university fees at the UK (home) rate and includes funds for maintenance at the standard rate and for participation in international conferences and workshops. 

Please submit applications in the following format:

• A personal statement (500 words maximum) outlining (i) your research experience, (ii) which project you would like to work on (Project 1 or 2) and your suitability for the project, (iii) what you hope to achieve in your PhD. 

• A CV including full details of all university course grades, details on any scholarships, prizes and scientific papers published or in preparation. 

• Academic transcripts for undergraduate (Bachelor) and graduate (Master) studies.

• Names, and email addresses of two academic or professional referees (at least one academic).

These four documents should be submitted as a single zip file to Jochen Blumberger, j.blumberger@ucl.ac.uk specifying in the subject line “PhD application”. The closing date for applications from candidates from the UK and from EU with pre-settled status in the UK is 26 January 2026.

Highly motivated students from Physics, Chemistry or Materials Science Departments are strongly encouraged to apply for this post. The candidate should have, or be about to receive, an honours degree (at least II.1 or equivalent) in Physics, Chemistry or a related subject. Good knowledge in quantum mechanics and statistical mechanics is expected. Some experience with molecular simulation and scripting languages (e.g. python) is a plus.  

Informal enquiries regarding both positions can be made to Jochen Blumberger by email, j.blumberger@ucl.ac.uk. 

The start date of the studentships is 1 October 2026. 

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