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Up Directory CCL 19.01.17 PhD and Postdoc Positions in Computational Chemistry, South Africa
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Date: Thu Jan 17 07:38:08 2019
Subject: 19.01.17 PhD and Postdoc Positions in Computational Chemistry, South Africa
The Department of Chemistry at the University of the Free State, 
Bloemfontein, South Africa, is seeking a postdoc and a PhD student to work 
in the area of computational materials science and catalysis. The positions
are offered in the newly established group of Prof. Lyudmila Moskaleva. 
The PhD position is offered for 3 years. The postdoc position is offered 
for 1 year with the possibility of extension up to 3 years subject to 
successful performance during the first year. The positions are available 
immediately and will remain open until filled. 

Job description
You will work on a collaborative project within a research unit NAGOCAT 
(Nanoporous Gold  A prototype for a rational catalyst design) funded by 
the German Research Foundation (DFG). Apart from our research group, which 
is based at the University of the Free State in South Africa, the research 
unit comprises eight research groups from four universities in Northern 
Germany. The joint research program combines experimental and theoretical 
You will carry out research on catalytic properties of nanoporous gold 
using DFT, ab initio MD simulations, and microkinetic modelling. You will 
be part of an international team to explore the molecular-level basis for 
processes that control chemical reactivity in complex systems associated 
with catalysis. The project will involve travel to Germany (1-2 times a 

Related publications
1. Tomaschun, G., Dononelli, W., Li, Y., Baeumer, M., Kluener, T., Moskaleva,
   L. V., Methanol oxidation on the Au(310) surface: A theoretical study, 
   J. Catal. (2018) 364, 216-227. 
2. Li, Y., Dononelli, W., Moreira, R., Risse, T., Baaeumer, M., Kluener, T., 
   Moskaleva, L., Oxygen-Driven Surface Evolution of Nanoporous Gold: 
   Insights from Ab Initio Molecular Dynamics and Auger Electron 
   Spectroscopy, J. Phys. Chem. C (2017) 122, 5349-5357.
3. Hoppe, S., Li, Y., Moskaleva, L. V., Mueller S., How silver segregation 
   stabilizes 1D surface gold oxide: a cluster expansion study combined 
   with ab initio MD simulations, Phys. Chem. Chem. Phys. (2017) 19, 
4. Moskaleva, L.V., Roehe, S., Wittstock, A., Zielasek, V., Kluener, T., 
   Neyman, K. M., Silver residues as a possible key to a remarkable 
   oxidative catalytic activity of nanoporous gold, Phys. Chem. Chem. Phys.
   (2011), 13, 4529-4539.
5. Wittstock, A., Zielasek, V., Biener, J., Friend, C. M., Baeumer, M., 
   Nanoporous gold catalysts for selective gas-phase oxidative coupling of 
   methanol at low temperature, Science (2010) 327, 319-322.

Your profile
Applicants at the postdoctoral level should have a Ph.D. degree in Physics,
Chemistry, Chemical Engineering, or a related field. Experience with QM 
codes such as VASP, CP2K, CRYSTAL is required. Working experience in 
compiling and running programs in Linux environment is desirable. 
Proficiency in at least one programming language and shell scripting would 
be a plus.
Demonstrated oral and written communication skills (in English). Ability to
make clear presentations. Relevant research accomplishments documented by 
publications in scientific literature. You are able to work independently, 
yet be a good team player. You are highly motivated, ambitious and driven 
to succeed. You are flexible and ready to work under the pressure of 
Applicants at the PhD level are required to have a university Masters 
degree in Chemistry, Physics or related discipline and a strong background 
in physical and theoretical chemistry paired with high motivation and 
curiosity. Experience with the above QM codes and/or Monte-Carlo or 
microkinetic modelling, or programming experience are not required but 
candidates with such experience will be given preference.
In the cover letter of your application, please explain in detail your 
specific interests and the experience that qualifies you for the position.

We offer 
- Attractive remuneration (your salary is negotiable and will depend on 
  your qualifications)
- A welcoming, dynamic international environment
- Work in a small team of enthusiastic researchers on intellectually 
  challenging tasks
- Work with experts in the field
- Flexible working hours and various models to ensure the compatibility of 
  family and career
- University of the Free State offers vibrant campus life and diverse 
  recreational facilities
- Bloemfontein is located in central South Africa and lies on the main 
  road, rail and air links between north and south, east and west. It is a 
  vibrant area but a peaceful place, perfect for those who love to feel 
  that they are living a country lifestyle, but are still in a big city. 
  The cost of living is among the most competitive in the country.

Useful websites
Please, send your cover letter, CV and a copy of transcript of records by 
email to Prof. Lyudmila Moskaleva, lyudmila.moskaleva!=!
Only short-listed candidates will be contacted.
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Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.
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