|CCL 18.04.23 PhD position: Effect of Fluorination in Bioploymers - insights from electronic structure and first principle molecular dynamics simulations [Berlin, Germany]|
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Date: Mon Apr 23 04:38:18 2018
Subject: 18.04.23 PhD position: Effect of Fluorination in Bioploymers - insights from electronic structure and first principle molecular dynamics simulations [Berlin, Germany]
Have you ever heard of Teflon? You most probably have, Teflon is the stuff nothing sticks to. You likely also know that this is because polytetrafluoroethylene (i.e. Teflon) is full of fluorine, which makes it both hydrophobic and lipophobic. Imagine now a biopolymer with lots of fluorine instead of hydrogen. Would anything stick to it? Would it stick to itself? And how does it behave in water, the natural environment of bio- polymers? Or in the vicinity of alkyl side chains typical of many biopolymers? What molecular scale interactions drive its behavior? What impact has fluorination on molecular recognition? Understanding the properties of fluorinated peptides, proteins and other biopolymers will enable us to rationally modulate them and thereby enhance their potential as pharmaceuticals, catalysts or biocompatible materials. You will answer the above questions by molecular simulations of biopolymers and their fluorinated counterparts. Our approach is multiscale: you will start with small molecules and will build up efficient models to investigate biopolymers. For the smaller molecules you will perform highly accurate quantum mechanical calculations with state-of-the-art methods. These can be directly compared to measurements such as Raman spectra and results from infra red/resonant two photon ionization spectroscopy; internal consistency between experiment and simulation will lend confidence to the insight gained into these systems. Required background: You should have experience in molecular simulations, ideally electronic structure theory/quantum chemistry. A good knowledge of statistical physics is a plus. Location: the work will take place at the Physics Department of the Free University of Berlin, in Berlin, Germany, in the group of Prof. Dr. Petra Imhof, http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-imhof/research/index.html , and in collaboration with Dr. Ana Vila Verde at the Max Planck Institute of Colloids and Interfaces, in the nearby city of Potsdam. The project duration is 36 months; salary according to the standard TVoD contract for PhD students.
Please apply at https://imprs.mpikg.mpg.de/application before May 11 2018. Applications sent by email, as well as incomplete or late applications, will not be considered. The applicants may contact Prof. Dr. Petra Imhof (pimhof_at_physik.fu-berlin.de) directly for further information.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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