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TCMM


TCMM

Logo UHasselt Universiteit Hasselt - Knowledge in action

HEAD OF THE GROUP - PROF. DR. MICHAEL S. DELEUZE

RESEARCH HIGHLIGHTS


25 years of research experience pertaining to (1) many-body quantum mechanics (propagator or Green's function theory); (2) material sciences and polymer physics; (3) photoelectron spectrocopies (using Ultra-Violet [He I, He II], X-ray [AlKa] or synchrotron radiation beams); (4) electron- or atomic-impact ionization spectroscopies (Electron Momentum Spectroscopy, Penning Ionization Electron Spectroscopy); (5) UV-Vis spectroscopy and electronic excited states; (6) linear response properties; (7) molecular dynamics of supramolecular systems (e.g. catenanes) and clusters of buckminsterfullerenes; (8) conformational analysis, with emphasis on the relationships prevailing between the molecular and electronic structures; (9) electronic and structural properties of carbon and boron-nitrogen clusters, or boranes and carbornanes; (10) reaction mechanisms for the thermal conversion of sulfoxide, sulfonyl and xanthate precursors into conjugated polymers; (11) thermal effects on the structural, electronic and optical properties of conjugated chains; (12) orbital imaging and stereochemistry; (13) nucleation of organic half-conductors on inert surfaces; (14) photochemistry under far-UV-radiation; (15) ring currents and magnetic responses in polycyclic aromatic hydrocarbons; (16) calculations of transition or reaction energies within chemical accuracy (1 kcal/mol). The employed methods cover almost every aspects of theoretical and computational chemistry: molecular mechanics, molecular dynamics, semi-empirical techniques, Hartree-Fock Theory, Density Functional Theory, high-level post-SCF methods (Many-Body Perturbation Theory, Coupled Cluster Theory, Multi-Configurational Theories); band structure theory; as well as Statistical Thermodynamics, beyond the Rigid Rotor / Harmonic Oscillator (RRHO) approximation.

 

EDUCATIONAL QUALIFICATIONS

Ph.D. thesis

FUNDP-Namur, Wallonie, Belgium (supervisor : Prof. J. Delhalle, 1990-1993),
within the 'laboratoire de chimie theorique appliquée' (Dir. Prof. J.-M. Andre);
Aspirant  FNRS (1990-1994).

Post-doctoral experience:

University of Sheffield, UK (one year, Prof. B.T. Pickup, 1993-1994).
Chargé de recherches FNRS (1994-1996) : 
University of Heidelberg, Germany (one year, Prof. L.S. Cederbaum, 1994-1995).
FUNDP-Namur, Belgium (one year, Prof. L.S. Delhalle, 1995-1996).
Training and Mobility Research Program of the European Community (1996-1997) : University of Bologna, Italy (one year, Prof. F. Zerbetto)  

Working at the "University of Hasselt" (UH) (known as "the Limburgs Universitair Centrum" until 15th June 2005), Flanders, Belgium, since december 1997, as follows :

  • FWO Senior Research Assistant (1997-1999) (Two years, Prof. J.-P. François).

  • FWO Research Leader (1999-2000).

  • Faculty Professor at the UH since 1st october 2000 (“docent”, promotion to “hoofddocent” in January 2004, promotion to full professorship "hoogleraar" in January 2008).

Besides the above listed universities, many of our works have been completed through collaborations with groups in Uppsala (Sweden), Pau (France), Manchester (UK), Ancona (Italy), Irkutsk (Russia), Beijing (China), IMEC (Leuven, Belgium), Adelaide (Australia), Melbourne (Australia), Sendai (Japan), London (UK)  and Oxford (UK), Durham (UK), Budapest (H) and the Free University of Brussels (VUB).

 

PRIZES

  • "Best Poster Diamond Certificate" during the 7th congress of the "World Association of Theoretically Oriented Chemists" (WATOC, President Prof. Henry F. Schaefer III - University of Georgia, USA) in Cape Town, South-Africa (15th-21st January 2005).

  • Prizewinner 2005 of the "Royal Flemish Academy of Belgium for Sciences and Arts" in the Class of the Natural Sciences (see http://www.kvab.be).