Molecular simulations of physical properties of Conjugated Polymers for liquid and gas phase membrane separations - KU Leuven

A PhD position is available at the Division Polymer Chemistry and Materials of the Chemistry Department, Faculty of Sciences of the KU Leuven to participate in the project "Molecular simulations of physical properties of Conjugated Polymers for liquid and gas phase membrane separations". The position is part of a interdisciplinary research project involving synthesis of polymers, the creation of membranes, investigation of the physical and separation efficiencies of the membranes, and the molecular modelling of the physical properties of Conjugated Polymers for liquid and gas phase membrane separations. The position is in the filed of molecular simulations


The Division of Polymer Chemistry and Materials is active in the filed of polymer materials. Elements of contemporary organic and physical chemistry are exploited and developed in a concerted way to create new polymeric materials. Molecules and materials are synthesized and characterized on molecular and supramolecular levels, the properties are evaluated and interpreted in terms of intrinsic molecular characteristics and the materials processing induced morphology.
Our research focuses on 3 societal relevant material classes: biobased polymeric materials, materials based on conjugated polymers and nano-engineered polymer materials.
The research unit furthermore invests in new pathways for polymer synthesis and the unveiling of structure-property relationships in soft matter using experiment, theory and simulations.
The collaboration with other research groups is crucial as to complement our own expertise and to adequately cover the chain of knowledge required to develop new polymeric materials.

Research project

- You will use molecular and coarse grained simulation methods to determine by simulations the properties of the investigated conjugated polymers
- You will be involved in the comparison of your simulation results with experimental data obtained by other researchers in the project.
- When needed, you will extend and adapt existing methods, and develop new simulation algorithms.
- You will be guided on a daily basis by a postdoctoral researcher and will work in a multidisciplinary team.
- You will make use in your research of the Tier 2 HPC research facilities of the KU Leuven and of the Tier 1 research facilities of the Flemish Supercomputer Centre (VSC).

Nr of positions available : 1

Application Deadline


Application website

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