Research activities

Thanks to the development of quantum chemical methods, it is possible to simulate and understand the physical and chemical properties of complex systems at the atomic scale. In our laboratory, we use these methods to simulate the properties of systems where the interface between a metallic material and an organic material plays a major role.

Among the systems we study, we are interested in the properties of molecular junctions, where molecules are sandwiched between two electrodes in order to produce electronic devices on a molecular scale. We are also interested in the optical properties of molecules arranged in the vicinity of metal cavities, which profoundly change their emission and absorption characteristics.

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Our service is also associated with the following UMONS research institutes :