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PhD position - Computational Spectroscopy of Bio ... (No replies)
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Research area and project description
The analysis and interpretation of experimental spectroscopic studies of biomolecular systems can be very challenging due to the complexity of biological matter and the use of increasingly advanced spectroscopic techniques. This challenge can be solved through computational simulations that can provide the link between the observables and the underlying molecular mechanisms. However, current capabilities are mostly limited to very small systems or support only a few simpler types of spectroscopy. Our goal is to develop computational methodology that will make it possible to simulate a wide range of spectroscopies of large and complex biomolecular systems, such as assemblies of proteins, cell membranes, and nucleic acids. The methodology is based on multiscale-modeling approaches aimed at ground- and excited-state molecular dynamics and embedding methods for electronic-structure calculations of spectroscopic properties. The focus will be on combinations of quantum mechanics (QM) and molecular mechanics (MM) methods, e.g., QM/MM and QM/QM/MM. For the QM part, we typically rely on density functional theory (DFT) but wave-function methods, such as coupled cluster (CC), are also used to some extent, while the MM part is described by advanced polarizable force fields.
The specific project will be formulated together with the successful candidate and can therefore be adapted to take into account their interests and competences. The project must involve theoretical derivation of methodology, in accordance with the research area described above, and its implementation in computer code. It may additionally include the application of the methods to biochemical and biophysical problems.
Qualifications and specific competences
Applicants to the PhD position should have a relevant master’s degree in chemistry, physics, or a related field. The degree must be obtained before the starting date of the position and by summer 2021 at the latest. Candidates with a background in theoretical and computational chemistry will be preferred. Programming skills (e.g. Fortran and Python) are also highly desirable.
Application deadline is 1 November 2020 at noon (11:59 AM CEST), with a starting date of 1 February 2021 or later.
For more information please visit: https://phd.nat.au.dk/for-applicants/apply-here/november-2020/computational-spectroscopy-of-biomolecular-systems/
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The University is located in Aarhus, Denmark, which provides international students with a safe and stable environment, a high standard of living and a wealth of social opportunities. Besides having an excellent reputation that enables our PhD graduates to find outstanding employment prospects, Aarhus University offers attractive working conditions, research support and campus resources. Read more about all the benefits here.