Program

August 20

2-3 pm:   Welcome and registration

Afternoon session (chair: Mohamed Souhassou)

3-3:30 pm:   Introduction: connection between charge, spin (and momentum densities): a tribute to Prof. Robert F. Stewart.
                M. Souhassou (Université de Lorraine, France)

3:30-4:30 pm:   X-ray diffraction: data collection and data reduction for charge density determination.
                J. Overgaard (University of Aarhus, Denmark)REMOTE

4:30-5 pm:   Coffee break

5-6:30 pm:   Multipolar modeling of the charge density using high-resolution X ray diffraction.
                P. Dominiak (University of Varsaw, Poland)

Evening session: Get together

8-10 pm:   Sponsor presentations, poster session, discussions



August 21

Morning session (chair: Florence Porcher)

9-10 am:   Topological analysis of charge densities.
                E. Espinosa (Université de Lorraine, France)

10-10:30 am:   Joint refinement: complementarity in diffraction experiments : Mollynx-mult, a multipolar approach.
                M. Souhassou (Université de Lorraine, France)

10:30-11:30 am:   Spin density topology.
                C. Gatti (CNR, Italy)REMOTE

11:30-12 am:   Coffee break

12-13 am:   Electrostatic properties from the multipole model.
                B. Guillot (Université de Lorraine, France)

Afternoon session (chair: Claude Lecomte)

2-3 pm:   Polarization and surface charges in molecular crystals.
                P. Macchi (Politecnico di Milano, Italy)

3-3:30 pm:   Introduction to XD.
                P. Macchi (Politecnico di Milano, Italy)

3:30-4 pm:   Introduction to Mopro.
                B. Guillot (Université de Lorraine, France)

4-4:30 pm:   Coffee break

4:30-6:30 pm:   Tutorials on Mopro, XD and Mollynx (2 groups), including coffee break.
                B. Guillot, P. Macchi, M. Souhassou, M. Deutsch, C. Jelsch and N. Claiser



August 22

Morning session (chair: Nicolas Claiser)

9-10 am:   Basic of neutron diffraction and polarized neutron diffraction.
                F. Porcher (LLB-CEA Saclay, France)

10-11 am:   Experimental determination of magnetic tensors.
                I. Kibalin (LLB-CEA Saclay, France)

11-11:30 am:   Coffee break

11:30-12:30 am:   State of the Art and Perspectives in the Search for Experimentally Constrained Wavefunctions..
                A. Genoni (Université de Lorraine, France)

12:30-13 am:   Joint refinement: complementarity in diffraction experiments: an orbital approach Mollynx-orb.
                M. Souhassou (Université de Lorraine, France)

Afternoon session

2-4:30 pm:   Tutorials on Mopro, XD and Mollynx (2 groups), including coffee break.
                B. Guillot, P. Macchi, M. Souhassou, M. Deutsch, C. Jelsch and N. Claiser

4:30-4:50 pm:   Commercial presentation: DECTRIS
                M. Mueller (Product Manager OEM - DECTRIS Ltd.)

4:50-5:40 pm:   Round table & coffee: Future in charge densities.
                D. Luneau (Universite Claude Bernard, Lyon 1, France)

5:40-6 pm:   Conclusion and evaluation of the school.

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