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Date: Thu Dec 7 06:37:05 2017
Subject: 17.12.07 Open PhD position in Computational Chemistry at the University of Bonn, Germany
The group of Prof. Dr. Barbara Kirchner ( at the University of Bonn, Germany, 
has currently a PhD position (for an ESR) open in Computational Chemistry. The position is part of the 
MSCA-ETN Horizon 2020 network SOCRATES: The topic of the thesis is In-silico design 
of selective metal extractants.

To develop large-scale methods that describe the dynamics and the energetics of the complex formation between 
the desired ligands and metals. To understand the coordination and solubility of different metals in solvents.
To establish the principles of selective metal recovery. To design solvents and/or solvent mixtures for the 
selective recovery of the chosen metals.
New theoretical tools for the design of selective ligands for metal coordination, leading to metal complexes 
with a high solubility in non-polar solvents. New structural leads for the design of extractants. Understanding 
the mass transfer between the two liquid phases at the molecular level and prediction of the optimised structure 
of the extractant solvent to achieve high rates for the mass transfer.

Applicants need to fully respect three eligibility criteria:
Early-stage researchers (ESR) are those who are, at the time of recruitment by the host, in the first four years 
(full-time equivalent) of their research careers. This is measured from the date when they obtained the degree 
which formally entitles them to embark on a doctorate, either in the country in which the degree was obtained 
or in the country in which the research training is provided, irrespective of whether or not a doctorate was 
Conditions of international mobility of researchers: 
Researchers are required to undertake trans-national mobility (i.e. move from one country to another) when taking 
up the appointment. At the time of selection by the University Bonn, researchers must not have resided or carried 
out their main activity (work, studies, etc.) in Germany for more than 12 months in the 3 years immediately prior 
to their recruitment. Short stays, such as holidays, are not taken into account.
English language: 
Network fellows (ESRs) must demonstrate that their ability to understand and express themselves in both written 
and spoken English is sufficiently high for them to derive the full benefit from the network training.

Benefits and salary:
The successful candidates will receive an attractive salary in accordance with the MSCA regulations for early stage 
researchers. The salary includes a living allowance, a mobility allowance and a family allowance (if married). 
The guaranteed PhD funding is until 08/2020.  It might be possible to elongate the job behind this date. In addition 
to their individual scientific projects, all fellows will benefit from further continuing education, which includes 
internships and secondments, a variety of training modules as well as transferable skills courses and active 
participation in workshops and conferences.

Interested candidates can contact Prof. Kirchner via email (kirchner]![

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Modified: Thu Dec 7 11:37:05 2017 GMT
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