CCL Home Page
Up Directory CCL 18.04.23 PhD position: Effect of Fluorination in Bioploymers - insights from electronic structure and first principle molecular dynamics simulations [Berlin, Germany]
From: jobs at ccl.net (do not send your application there!!!)
To: jobs at ccl.net
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!!!
All @ signs were changed to a to fight spam. Before you send e-mail, you need to change a to @
For example: change joe a big123comp.com to joe@big123comp.com
Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at http://www.ccl.net/jobs. If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.
Modified: Mon Apr 23 08:38:18 2018 GMT
Page accessed 827 times since Mon Apr 23 08:39:17 2018 GMT