Netherlands: PhD position in Molecular Modeling

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The PhD-student will investigate the interaction between carbon dioxide and organic adsorbents like amines. Carbon dioxide can be reversibly adsorbed by organic amines in water. This is useful for removal of carbon dioxide from gas streams and transport to facilities where it can be further processed or stored. For applications, the energy efficiency of both the adsorption and desorption processes are very important. In this project, the interaction between carbon dioxide and several organic amines will be studied on an atomic level by a variety of quantum chemical methods (using Gaussian, Q-Chem, ORCA, etc.) to model the complex and to find optimized compounds for the adsorption and desorption processes. In the second part of the project the performance of several optimized structures will be tested by physical methods. This PhD-project is part of a larger national program on CO2 capture, and performed in close cooperation with TU Delft and TNO. AFSG is the organisation for development and transfer of knowledge in the field of sustainable applications of agro-components for safe and healthy food and non-food products.(standaard)
Modeling of the interaction of carbon dioxide with amines using atomistic quantum chemical methods for optimizing adsorption and desorption of carbon dioxide and physico-chemical investigation of these interactions.


Suitable candidates should have a real drive to do scientific research. As educational background an MSc in Molecular (Life) Sciences or Chemistry is required. Experience with quantum chemical modelling (Gaussian, Q-Chem) and physico-chemical methods is a plus.

Conditions of employment

We offer you a full-time position for a period of 18 months with a possibility of extension for 30 months. Gross salary per month € 2042,- in the first year rising to € 2612,- per month in the fourth year.
Hay-profile: Promovendus.

Contract type



Wageningen UR (University & Research centre)

AFSG is the organisation for development and transfer of knowledge in the field of sustainable applications of agro-components for safe and healthy food and non-food products.

The Organic Chemistry group ( constitutes a large, interdisciplinary research team involved in teaching and research on organic chemistry, with an emphasis on surface-based reactivity. Examples that gained international recognition include biofunctionalized organic monolayers and microchannels, immobilized enzymes, and bio-organic nanoparticles. The group aims to excel in the research and teaching of organic chemistry. The laboratory is well-equipped with a unique set of analysis instruments for bio-organic materials and surfaces, and has an experienced technical staff. In addition to this, the embedding within Wageningen University and Research Centre adds ample biological input into our focus on chemistry-based bionanotechnology. Currently ca. 1000 students/year take part in one or more Organic Chemistry study elements provided by our faculty.


For more information about the project please contact Prof.dr. H. Zuilhof, telephone number +31 317-482367 or Dr. A.T.M. Marcelis, telephone number +31 317-482366
For information about the contractual aspects please contact Mrs. N. de Vries, HRM , AFSG, telephone number +31 317-485677 Application:You can apply online until March 18th.

Additional information

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