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First International School on Charge and Spin Densities from X-Ray, Neutron, Electron Diffraction Data, and Theory: Joint Refinement






The First International School on Charge and

Spin Densities from X-ray, Neutron, Electron Diffraction Data, and Theory: Joint refinements will be held in Halifax, Canada, 1-4 August 2014. This is a satellite event of the 23rd Congress and General Assembly of the International Union of Crystallography (IUCr)(5-12 August 2014, Montreal, Canada,http://www.iucr2014.org/) on the occasion of the UN International Year of Crystallography http://www.iycr2014.org/.


General Information:

This important international venue will provide training for early career scientists from disciplines that use crystallography in their research at the intersection of crystallography, medicinal chemistry, solid state and materials science, biochemistry, theoretical, quantum and computational chemistry.


REGISTRATION IS NOW OPEN. To register online and to submit an abstract please visit: 



School Provisional Programme:


Focus of the Halifax 2014 Summer School:

High resolution X-ray diffraction is a mature method for determining the charge density distribution, electron diffraction is a powerful method in the determining of low order intensities of low order reflections. Combining both yields more reliable charge distributions especially for small unit cells inorganic crystals. The magnetic moment distribution can be modeled by polarized neutron diffraction (PND) but without a clear distinction between the spin and orbital contributions while X-ray Magnetic Diffraction ( XMD) allows for the distinction between these two quantities. Therefore a joint X-ray, XMD, PND , and electron diffraction refinement leads to a precise spin and charge distributions in magnetic materials, magnetic molecular materials, etc. leading to more complete description of the electronic behavior of crystalline solids.


The School will teach participants the necessary know-how for obtaining and analyzing paired and unpaired electron density distributions using all electron, neutron, and X-ray diffraction methods, and also to practice some of the joint refinement software.


The school will include extensive discussions about the combination of experimental techniques among themselves and with quantum mechanical theoretical calculations.



    * Professor Mohammed Souhassou

       (Université de Lorraine, France)

    * Professor Chérif F. Matta

        (Mount Saint Vincent University, Canada)


Organizing and Planning Committee (Administration):

    * Ms. Jill Hurlbert

        (Mount Saint Vincent University, Canada)

    *  Ms. Cathleen Madget

        (Mount Saint Vincent University, Canada)

    *  Mr. Jeffrey Turner

        (Destination Halifax, Canada)

    *  Mr. Jonathan Toms

        (Destination Halifax, Canada)


International Scientific Advisory Board

(Alphabetical Order):

    *  Dr. Nicolas Claiser

        (Université de Lorraine, France) 

    *  Professor Jean-Michel Gillet

        (École Centrale Paris, France)

    *  Dr. Béatrice Gillon

       (Laboratoire Leon Brillouin, CEA, France)

    *  Professor Jésus Hernández-Trujillo       

       (UNAM, Mexico)

    *  Dr. Christina Hoffmann

       (Oak Ridge National Laboratory, USA  )

    *  Professor Claude Lecomte

       (Université de Lorraine, France)

    *  Professor Lou Massa

       (City University of New York, USA)

    *  Professor Philip Nakashima

       (Monash University, Australia)

    *  Professor Alan Pinkerton

       (University of Toledo, USA)

    *  Professor Wolfgang Scherer

       (University of Augsburg, Germany)

    *  Professor Y Wang

       (University of Taipei, Taiwan)


Invited Speakers/Instructors 

(Alphabetical Order):

    *  Professor Pierre Becker

       (Ecole Centrale Paris, France)

    *  Dr. Nicolas Claiser

       (Université de Lorraine, France)

    *  Dr. Slimane Dahaoui

       (Université de Lorraine, France)

    *  Dr. Maxime Deutsch

       (LLB CEA Saclay, France)

    *  Dr. Pierre Fertey

       (Synchrotron Soleil, France)

    *  Professor NourEddine Ghermani

       (ECP Paris, France)

    *  Dr. Benoit Guillôt

       (Université de Lorraine, France)

    *  Professor Jesus Hernandez-Trujillo

       (UNAM, Mexico)

    *  Professor Pierro Macchi

       (University of Berne, Switzerland)

    *  Professor Takata Masaki

       (University of Tokyo and Sping8 Japan)

    *  Dr. Eric Ressouche

       (ILL, Grenoble, France)

    *  Professor Wolfgan Scherer

       (University of Augsburg, Germany)


About Halifax:

Halifax is the capital of the Province of Nova Scotia, in eastern Canada, with long scenic shore on the Atlantic Ocean. See:



We Thank Our Sponsors:

·     Gaussian, Inc.


·     TK Gristmill (AIMAll)


·     SemiChem, Inc.


·     The International Union of Crystallography


·     Mount Saint Vincent University


·     Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2) Université de Lorraine


·     Destination Halifax




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