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Founded in 1831 by the Society of Jesus, the University of Namur (UNamur) carries on the values of the humanistic tradition through teaching and research: universality, quality, ethical commitment and solidarity. Its priority is to educate students and researchers as responsible and active members of society. Situated in the Southern, French-speaking part of Belgium, the University of Namur comprises six Faculties, offering some forty academic programs. It welcomes about 6600 students and carries out research covering the main fields of knowledge, ranging from ethics to nanotechnologies, from linguistics to computer science, from human rights to veterinary science, and so on.

UNIT OF THEORETICAL AND STRUCTURAL PHYSICAL CHEMISTRY (UCPTS)

members

BenoƮt CHAMPAGNE

Laurence LEHERTE

Vincent LIEGEOIS

Daniel P. VERCAUTEREN

Johan WOUTERS

 

UNIT OF THEORETICAL AND STRUCTURAL PHYSICAL CHEMISTRY (UCPTS)

structural, electronic, and optical properties of (macro)molecules

The research activities of UCPTS tackle the characterization of structural, electronic, and optical properties of (macro)molecules. UCPTS is built from three laboratories, the Laboratory of Theoretical Chemistry (LCT, benoit.champagne@unamur.be), the data-processing Physico-Chemistry Laboratory (LPCI, daniel.vercauteren@unamur.be), and the Laboratory of Structural Biological Chemistry (LCBS, johan.wouters@unamur.be). These labs apply and develop theoretical chemistry methods: quantum mechanics (QM), molecular mechanics (MM), hybrid QM/MM, statistical mechanics, and artificial intelligence for applications in material and life sciences. In addition, the UCPTS elaborates an expertise in the domain of structural determination of (macro)molecules by using experimental physico-chemical methods (X-ray diffraction crystallography, calorimetry, and optical spectroscopies).

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