PhD Student Computational Chemistry at Vrije Universiteit, Netherlands

Vrije Universiteit invites applications for a PhD Student in Computational Chemistry.

This project is part of the Research Programme of the National Research School Combination “Catalysis by Design”.

This research is aimed at elucidating the reaction mechanisms of oxidation at transition metal centers in solution, using computational and theoretical methods.

Recently direct effects of the solvent on the electronic structure aspects of the reaction were shown to be very important, and will be further subject of the proposed investigation.

The ultimate goal is theoretical exploration of catalyst improvement by modification of the various factors - form of “active” oxygen used or generated, metal involved and oxidation state of the metal, ligand environment, solvent chosen.


The candidate for this position is expected to have completed a Master in chemistry or physics, in a theoretical direction or with a strong theoretical component.


The initial contract is for one year, which upon mutual agreement and satisfaction will be extended by three years.

You are supposed to have a thesis finished at the end of the fourth year.

The university campus in the southern part of the city, close to Schiphol airport (one train stop).

Send your application to:

prof E. J. Baerends,
Faculty FEW/Chemistry,
De Bolelaan 1083,
1081 HV, Amsterdam, The Netherlands

who can also be contacted for more information:

Tel: +31 (0)20 59 87 621; Email: ej.baerends at

Applications should contain CV, including details on the educational program (which courses?) and references.

For more information see; PhD Student Computational Chemistry at Vrije Universiteit:

Scholarship 2016/17

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