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Postdoc in Computational Physics/Chemistry at Un ... (No replies)

3 years ago
jochen 3 years ago

A post-doctoral research position is available from 1. October 2016 in
the research group of Professor Jochen Blumberger at University College London, UK. The project, funded by the ERC, is on the development of powerful non-adiabatic molecular dynamics approaches for realistic simulation of charge transport in organic materials and/or redox active proteins beyond currently available methods. Depending on the interests of the successful candidate, the project will focus on one or several of the following topics (i) development and numerical implementation of new quantum-classical theories for electron-nuclear dynamics (ii) development of improved parametrizations for fast but accurate calculation of Hamiltonian matrix elements (electronic couplings, site energies) and forces from electronic structure calculations (iii) implementation of linear scaling algorithms to reach length and time scales that are presently out of reach. Applications will focus on ultrapure organic single crystals and/or multi-heme proteins. We expect that the methodology to be developed will open the door for ground breaking new insight into the problem of charge conduction in organic materials and/or solvated biomolecules, where strong anharmonic thermal fluctuations and small energy barriers render standard theories (band, hopping) inadequate. Access to high performance computing facilities will be provided.

Highly motivated candidates who have or are about to receive a PhD in theoretical or computational physics or chemistry, or related disciplines, are encouraged to apply for this post. Experience in computer code development (e.g. in fortran or c, c++) is essential. Excellent knowledge in molecular quantum mechanics, statistical mechanics and molecular simulation methods is expected. Experience with state-of-the-art quantum-classical non-adiabatic MD methods is a plus.

Your application should include (i) a motivation statement (250 words max) briefly describing your main research achievement(s) to date and why you would like to apply for this post (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. These 4 documents should be sent by email as a single zip file to Jochen Blumberger, email address: [email protected]
Informal enquiries regarding the vacancy can be made to Jochen Blumberger, preferably by email.

The post is for 1 year in the first instance and renewable for another 2 years (total duration: 3 years). Interested candidates may want to take a look at recent group publications in the field, listed on the group website Candidates are advised to apply as early as possible as the selection and interview process will commence immediately and continue until a suitable applicant is found.

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Ab initio (from electronic structure) calculation of complex processes in materials