Research Fellow in Computational Physics/Chemistry

University College London, UK

Closing date: 20 November 2020

A postdoctoral research position is available in the research group of Professor Jochen Blumberger at University College London, Department of Physics and Astronomy. The position is funded by the ERC grant “SOFTCHARGE: Charge carrier transport in Soft Matter: From Fundamentals to High Performance Materials”. Our group has recently developed an efficient non-adiabatic molecular dynamics method that has allowed us to gain unprecedented insight in the Nature of charge carriers and the transport mechanism in organic semiconductors (Nature Comm 10, 3843 (2019)). In the current project we would like to improve and extend our methodology and apply it to challenging problems in organic semiconductor research. The work can focus on any of the following topics:

-Machine Learning of tight-binding electronic Hamiltonians for non-adiabatic dynamics
-Development of fast estimators for excited state electronic couplings 
-Development of polarizable force fields, e.g. ACKS2
-Design of new high mobility materials through conformational locking
-Impact of vacancies, line defects and grain boundaries on charge  propagation in organic crystals   

The start date is flexible but should be no later than 1. April 2021. The post is for 1 year in the first instance. 

Key Requirements:
Eligible candidates have a PhD in computational physics/chemistry or related disciplines. Highly motivated individuals who have a strong background in computer code development (fortran, C++, or python) or the quantitative modelling of organic materials are encouraged to apply. Strong interest in the simulation of charge or exciton transport phenomena in organic and biological materials is essential. Good knowledge in molecular quantum mechanics, statistical mechanics and molecular simulation methods is expected. First-hand experience with non-adiabatic molecular dynamics simulation techniques (e.g. fewest switches surface hopping or Ehrenfest) is an advantage but not required.

Further Details:
Candidates will need to upload (i) a motivation statement (500 words max) briefly describing main research achievements to date and future research plans (ii) a CV (2 pages max), (iii) a full list of publications (no page limit), and (iv) the names, contact details and email addresses of two referees. A cover letter can be included using the “Statement in Support of your Application” section of the online form.

To apply for the vacancy please go to the following website and click on the ‘Apply Now’ button at the bottom of the page.  

If you have any queries regarding the application process, please contact Jim Levin, 

Informal enquiries regarding the vacancy can be made to Prof Jochen Blumberger, 


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