https://www.wur.nl/en/vacancy/PhD-in-Theoretical-Surface-Chemistry.htm

A Ph.D. student position on the interface of computational chemistry and heterogeneous catalysis in the field of biomass conversion is available. The position is in the newly started Theoretical and Computational Surface Chemistry group of dr. Guanna Li, embedded in the labs of Biobased Chemistry and Technology and Organic Chemistry.
To convert biomass into chemicals and fuels, new challenges arise for catalysis due to the complex nature of the bio-based feedstock. New catalysts and new catalytic reaction processes are required for enabling efficiency and widespread valorization of these new types of feed. To arrive at new catalysts computer-based modeling in combination with chemical experiments is essential to establish a property-performance relationship that will lead to the fundamental understanding and improved catalysts.
The ambition of this Ph.D. project is to develop multi-scale operando computational-modeling methodologies for the investigation of catalytic biomass conversion processes and to provide essential insights into the mode of working of the through high-throughput quantum mechanical simulations. Eventually, it is expected that the results of computational modeling can deliver guidelines for the rational design of advanced catalytic materials. This project will involve intensive collaborations with the experiments performed in both labs.

We are looking for a highly-motivated, academically curious and result-driven team player with: 

• A background of quantum chemistry, and/or chemical physics;

• strong knowledge of surface chemistry and catalysis;

• experience in computational/theoretical surface chemistry or related areas;

• practical skills of programming (e.g. Python), UNIX/LINUX and parallel computing; 

• responsibility for the progress and quality of projects;

• good-to-excellent communication skills in both spoken and written English.

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Please directly apply through the link above if you are interested in!