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PhD studentship in non-adiabatic molecular dynam ... (No replies)
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A 3.5-year PhD studentship is available to work under the supervision of Prof Jochen Blumberger at the Condensed Matter and Materials Physics Laboratory, University College London, UK. The project involves the development and application of X-SH, a highly efficient non-adiabatic molecular dynamics programme for simulation of photo-induced charge generation in novel organic solar cell materials. You will contribute to the code development and you will apply the methodology to models of novel organic solar cell architectures. Your calculations will allow us to explain and interpret high time resolution electronic spectroscopies of these systems at a molecular level and they will help us find design rules for the development of new optoelectronic materials with unprecedented light-to-charge generation efficiencies. The project will contribute to a user-friendly open software tool and will yield important guidelines for the design of next-generation materials that have the potential to transform a promising clean energy technology.
The envisioned X-SH methodology is an extension of the FOB-SH method we have developed for simulation of charge carrier transport in organic and biological materials. Interested candidates are invited to take a look at recent publications on this method, as listed on the group website http://www.blumberger.net. For instance,
[1] S. Giannini et al. ``Chapter 6: From atomic orbitals to nano-scale charge transport with mixed quantum/classical non-adiabatic dynamics: method, implementation and application,” in Multiscale dynamics simulations: nano and nano-bio systems in complex environments, The Royal Society of Chemistry, 2022, pp. 172-202.
https://pubs.rsc.org/en/content/chapter/9781839164668-00172/978-1-83916-466-8
[2] S. Giannini et al. “Quantum localization and delocalization of charge carriers in organic semiconducting crystals,” Nature Comm. 10, 3843, 2019. https://www.nature.com/articles/s41467-019-11775-9.
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 and interest in writing computer code is expected. Some experience with molecular simulation and scripting languages (e.g. python) is a plus.
The start date of the studentship is 26. September 2022. The studentship will cover all university fees and includes funds for maintenance at the standard UK rate and for participation in international conferences and workshops. Due to funding restrictions, 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
Please submit applications in the following format:
These four documents should be submitted as a single zip file to Jochen Blumberger, [email protected] specifying in the subject line “PhD application”. The closing date for applications is 5. January 2022. All applications received by this date will be fully considered. Applications received after this date may be considered only if a suitable candidate has not been found by the above closing date.
Informal enquiries regarding the vacancy can be made to Jochen Blumberger, [email protected].