Theoretical Chemistry Home Page

Hasselt University

Department SBG

Agoralaan, gebouw D

B-3590 Diepenbeek (Belgium)

Contact: michael.deleuze@uhasselt.be

Fax: +32 (11) 268301.

Tel: +32 (11) 268303

Group members

Director of the group:

Prof. Dr. Jean-Pierre FRANÇOIS (JPF)


From left to right :

Prof. Dr. Michael S. DELEUZE (MSD)

Dr. Sergiusz P. KWASNIEWSKI (SeK) [Ph.D. student,
     1998-2003]
     Present position: Regulatory Manager of Acros Organics
                                      (Hazards Classification Specialist, from
                                      Fischer Scientific Inc).

Dr. Luc CLAES (LC) [Ph. D. student, 1998-2003]
Present position: Officer in the Belgian Army,
Research Center of Peutie

Dr. Maria G. GIUFFREDA (MGG) [Ph. D. student, 1997-2001]
Present position: Post-Doctoral Researcher at ETH,
Zurich, Switzerland

Prof. Dr. Jan M. L. MARTIN
Present position: Professor at the Weizmann Institute of
Science, Rehovot, Israel

Dr. Stefan KNIPPENBERG (StK) [Ph. D. student, 2003-2007]

                    Dra. Yanru HUANG (YRH) [Ph. D. student, 15th June 2006 - 14th of March 2007]
                        Her stay was made possible through a framework of a bilateral program for scientific
                        cooperation between Belgium (Flanders) and P. R. China.

Drs. Filippo MORINI (FM) [Ph. D. student, 2006 - 2010] .

Dr. Balázs HAJGATÓ (BH) [post-doc, 2006 - 2008]

        PhD positions
Students who recently obtained a license / master university degree in exact sciences (physics, chemistry) or civil engineering have the opportunity to apply for a 4-year PhD scholarship at the Fund for Scientific Research of Flanders on the basis of a well-defined research proposal from the research group of theoretical chemistry at the University of Hasselt. We are willing to support applied and/or fundamental research projects employing the theoretical methods at our disposal and with focus in fundamental and/or applied sciences (material sciences, life sciences, or computer sciences). Candidates having obtained excellent results (at least: high distinction or equivalent) during their studies are eligible for such a research position. Interested candidates should contact one of the staff members for enquiring about the possibilities. Applications to the Fund for Scientific Research of Flanders are due each year by February 1st, and the final decision taken by a panel of Belgian and foreign scientific experts is known by the last week of June. If the application is successful, the position starts on 1st October. As an alternative, Dutch-speaking students may also submit every year in September an application for a 4 years PhD position at the Institute for Sciences and Technology. At last, PhD positions financed by the Special Research Funds of the University of Hasselt are regularly available for Belgian and foreign students. A PhD thesis at the University of Hasselt can be defended in Dutch or English.

Locally maintained resources:

Publication list.

Research activities

Research interests include, but are not limited to, the following subjects:

Accurate anharmonic force fields of small polyatomic molecules (JPF)
Theoretical study of cluster molecules, in particular {B,C,N} molecules (MGG, MSD, JPF).
Statistical mechanics beyond the RRHO approximation (JPF)
Electronic structure theory of organic polymers (MSD)
Methodological research and development, focusing in particular on:

Performance of advanced many-body quantum mechanical methods (Progators, Density Functionals, Coupled Clusters...)

Basis set convergence (JPF);

Size-dependence properties and long-range effects (MSD);

Ionization spectra (MSD);

Molecular response properties (MSD);

Excited states and correlation bands (MSD);

Excitation spectra and optical properties (SeK, MSD);
Structure and dynamics of large molecular clusters and supramolecular systems (catenanes) via molecular mechanics and dynamics (MSD);
Exploration of synthetic routes towards advanced polymer materials via ab initio calculations combined with molecular mechanics and dynamics (LC, MSD)
Theoretical analysis of Electron Momentum and Ionisation Spectra of conformationally flexible molecules, conjugated chains and cage-compounds. (StK, MSD)

Other chemical HTTP servers

Master index
USENET News groups of chemical interest

Other sites of interest

CERN World-Wide Web server

Problems or questions?

Send Email to michael.deleuze@uhasselt.be