Research focuses on healthcare and energy by characterizing the structural and electronic properties of (macro)molecules. Researchers apply and develop a wide range of theoretical methods: quantum mechanics, molecular mechanics, hybrid QM/MM methods, and statistical mechanics. Complementarily, UCPTS is developing expertise in structure determination and characterization of (macro)molecules using experimental physico-chemical methods (crystallography, calorimetric analyses, bio-spectroscopies).
The 4 UCPTS laboratories
- Chimie Biologique Structurale (CBS) - Johan WOUTERS
- Chimie Physique des Biomolécules (CPB) - Catherine MICHAUX
- Chimie Théorique (LCT) - Benoît CHAMPAGNE and Vincent LIEGEOIS
- Laboratoire de modélisation informatique des matériaux fonctionnels (LCMFM) - Yoann OLIVIER
Specific features of research at UCPTS
Strongly based on an interdisciplinary approach, research at UCPTS is characterized by the complementarity of experimental and theoretical approaches. The ability to carry out numerical simulations using the latest theoretical tools, and to compare these computational results with experimental data obtained using state-of-the-art equipment, is one of the specific features that characterizes the ambitious research carried out.
Development of Scientific Apps
Within the research conducted at UCPTS, scientific programs and codes are being developed. For instance, the DrawSuite apps are Mac applications that are available for download.
Social impact
The research conducted at UCPTS addresses major issues linked to healthcare, the search for alternatives to pesticides or the development of new materials, particularly in the fields of energy storage and intelligent materials. What's more, the rigor and excellence of the research carried out is also a solid foundation for training tomorrow's researchers.