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PhD position at Paderborn University, Germany - ... (No replies)
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A PhD position in Computational and Theoretical Physics is available in the group of Prof. Stefan Schumacher at Paderborn University in Germany. The position (pay scale 13 TV-L / Entgeltgruppe 13 TV-L, 75% of regular working time) is limited to the duration of the PhD project, usually to a period of 3 years (with the possibility of extension).
Project description and responsibilities: We seek to hire a motivated and creative PhD student to work on a project funded by the Deutsche Forschungsgemeinschaft (DFG). In this project we aim at a better microscopic understanding of charge separation after photoexcitation in donor-acceptor conjugated polymers (organic semiconductors) as needed in organic photovoltaic devices. The project builds upon the group’s previous work on this and related subjects (e.g., [1-3]). The initial theoretical work will be based on electronic structure methods (primarily density-functional theory and linear response TD-DFT) for a general quantum chemical characterization. Beyond these first steps, one important goal of the project will be to gain detailed insights into the ultrafast dynamical behavior of the systems during charge-separation. This will be obtained from microscopic non-adiabatic ab-initio molecular dynamics calculations [1] and will lead us to understand the underlying microscopic mechanisms and to develop strategies for improved charge-separation efficiencies. Our theoretical work will be performed in close collaboration with our experimental partners at Bath University.
Besides the group’s interdisciplinary research (http://www.physik.upb.de/schumacher), in the Faculty of Science we offer a very stimulating research environment with a research focus on optoelectronics and materials science.
We welcome applications from motivated and skilled candidates with interest in theoretical work and with good command of the English (or German) language (both written and spoken).
Employment requirements: Master’s degree in physics, chemistry or related subject (a previous focus on theoretical aspects is preferred). Previous experience with conjugated molecular systems and numerical simulations (in particular quantum chemistry codes) will be an advantage.
Please send applications AS A SINGLE PDF FILE in German or English to Prof. Schumacher at [email protected]. Applications will be reviewed on a continuous basis until the position is filled.
[1] Ultrafast electronic energy transfer in an orthogonal molecular dyad, C. Wiebeler, F. Plasser, G. J. Hedley, A. Ruseckas, I. D. W. Samuel, and S. Schumacher, The Journal of Physical Chemistry Letters 8, 1086 (2017).
[2] How intermolecular geometrical disorder affects the doping of donor-acceptor conjugated copolymers, D. Di Nuzzo, C. Fontanesi, R. Jones, S. Allard, U. Scherf, E. von Hauff, S. Schumacher, and E. Da Como, Nature Communications 6, 6460 (2015).
[3] Charge photogeneration in donor-acceptor conjugated materials: influence of excess excitation energy and chain length, R. Tautz, E. Da Como, C. Wiebeler, G. Soavi, I. Dumsch, N. Fröhlich, S. Allard, U. Scherf, G. Cerullo, S. Schumacher, and J. Feldmann, Journal of the American Chemical Society 135, 4282 (2013).