Title: Develop next generation atomistic force fields to investigate proteins in salty solutions

Project description: 
Molecular dynamics simulations using classical atomistic force fields have yielded unprecedented
insight into biomolecular systems.  The commonly used force fields to study these systems are 
currently appropriate for low concentrations. However, the cytoplasm or of the extra cellular matrix 
have a high total concentration of non-water molecules: biopolymers, sugars, nucleotides, other 
proteins, small molecules, and salt.  
In this project we aim to develop next-generation, classical, atomistic force fields that can 
adequately capture the structure and the energetics of interactions of biomolecular systems 
with complex composition.  We will use the force fields to investigate the mechanisms governing 
the stability of proteins in multimolar salt concentrations, typical of halophilic (salt-rich) 
environments. 

Funding: The position has guaranteed funding for 36 months through the Cluster of Excellence 
RESOLV (https://www.solvation.de). Salary will be paid at the TVL-13 75% level: this corresponds 
to a regular work contract with healthcare, social security, paid parental leave and paid vacation.  
Teaching duties amount to a maximum of 22% of the work time.  Guaranteed funds are available to 
attend yearly conferences, for a 3-month research stay an international research group, and to 
participate in soft skill courses.  


Requirements: 
- Bachelor and Master degrees with grade A (in the German system this corresponds to a grade 
of 1.5 or better) in Physics, Physical-Chemistry, or related areas.  
- Grade A in the following subjects, taken at Bachelor or MSc. level: calculus (2 semesters), 
intro statistical mechanics, intro quantum mechanics, physical-chemistry, programming (python, 
C, Fortran or similar).  
- Prior experience with at least ONE of the following techniques: 
	i) Energy decomposition calculations from first principles; 
	ii) Development of classical force fields for molecular dynamics simulations. 
- Excellent programming skills.
- Excellent oral and written communication skills in English. 

Prior experience with the molecular dynamics software package OpenMM is an advantage.

Contact: The position is based in the group of Dr. Ana Vila Verde (https://wiki.uni-due.de/vilaverde/) 
at the Physics department of the University of Duisburg-Essen (UDE), in Duisburg, Germany.  To 
apply, send a short (<0.5 page) motivation letter, a CV with contact information of referees, BSc. 
and MSc. transcripts (containing the names of the subjects taken and respective grades, as well as
 an explanation of the grading system) and a pdf of your MSc thesis (or BSc work, if thesis is not 
ready) as pdfs to ana.araujo-vila-verde]![uni-due.de.  All application materials must be in English 
and must be legible.

Research environment: The successful candidate will be a part of the Excellence cluster RESOLV 
(https://www.solvation.de/about), which is a research initiative involving 200 scientists from 6 
institutions in the German Ruhr area.  The UDE is a full-fledged university, with 40000 
undergraduates and 5000 graduates in all areas of knowledge; 25% of our doctoral students are 
international.  Duisburg is 7 minutes away from the Dusseldorf airport.  

The University of Duisburg-Essen aims to promote the diversity of its members 
(see http://www.uni-due.de/diversity).  It is seeking to increase the number of women on its 
scientific staff and therefore strongly encourages suitably qualified women to apply.  In case of 
equal qualification, women will be given preference in accordance with state equal opportunity
 legislation.  Applications from suitable handicapped persons and equivalent applicants according 
to Article 2, Paragraph 3 of the social code (SGB IX) are also welcome.