One day 'Under the Bonnet' Powder Diffraction Software Workshop, Friday, 1st September 2006, Uni Mail, University of Geneva, as part of EPDIC-10 (European Powder Diffraction Conference), Uni Mail, University of Geneva, Geneva, Switzerland

One day 'Under the Bonnet' Powder Diffraction Software Workshop
8:50am to 6:00pm, Friday, 1st September 2006, Uni Mail, University of Geneva, Geneva, Switzerland
As part of EPDIC 10, 1st to 4th of September 2006, Geneva

Sponsors
. .

$[EPDIC 10 (European Powder Diffraction Conference), 1st to 4th of September 2006, Geneva Home Page]$

Organisers:

Prof Simon Billinge, Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan, USA. (billinge@pa.msu.edu)

Lachlan Cranswick, Canadian Neutron Beam Centre, National Research Council of Canada, Chalk River, Canada. (lachlan.cranswick@nrc.gc.ca)

Workshop and conference registration is via the EPDIC 10 (European Powder Diffraction Conference), Geneva, Home Page

Workshop Promotional Poster

EPDIC 2006 Software Workshop Promotional Poster in A4 size, Adobe Acrobat format (93kB).

The EPDIC 10 - Geneva, 'Under the Bonnet' Powder Diffraction Software Workshop homepage is at http://www.pa.msu.edu/cmp/billinge-group/Geneva2006/

Why Bother Attending?

Use Software for Powder diffraction? Want to know which program to use for a particular application? Want to hear from the developers what great engine they have got hiding under that pretty GUI? Get direct feedback to your questions from the Developers themselves. Contribute to the discussion of code extensions and the next generation.

Workshop Aims

To have powder diffraction software developers present the advanced features in their indexing, solution and refinement programs. To help participants answer the following questions about the programs: what does it do? why/when should I use it? how/where can I use/get it? what is under the bonnet?

Guidelines for Speakers

In the time provided, speakers are requested to provide:

Overview of functionality of the program
(i.e., what does it do?) (3 mins)
Features that differentiate the program
(e.g., good for magnetic scattering, large organics, fundamental parameters for profiles, etc. etc.)(i.e., why/when should I use it?) (3 mins)
Summary of implementation
(e.g., language, platform, gui/cmd line) (i.e., how/where can I use/get it?) (3 minutes)
Description of 2-3 favorite algorithm/implementation tricks
(what is under the bonnet?) (6 minutes)

Morning tea/coffee/snacks and afternoon tea/coffee/snacks are provided as part of the workshop. The breaks are designed to allow a generous amount of time for informal discussion.

Workshop Times

Introduction (8:50am to 9:00am)
Morning session 1 (9:00am to 10:20am)
Morning Tea and Coffee (10:20am to 11:00am)
Morning session 2 (11:00am to 12:40 midday)
Lunch (12:40 to 2:00pm)
Afternoon session 1 (2.00pm to 3:20pm)
Afternoon Tea and Coffee (3:20pm to 4:00pm)
Afternoon session 2 (4:00pm to 5:40pm)
Roundtable Discussion (5:40pm to 6:00pm):
Theme: "Where does algorithms development have to go for solution and refinement in powder diffraction."

Workshop Topics, Timeslots and Speakers

Morning

Workshop Introduction: (8:50am to 9:00am) - Simon Billinge, Department of Physics and Astronomy, Michigan State University, USA, (billinge@pa.msu.edu)

Morning 1a: (9:00am to 9:20am) - GSAS: Under the hood

Robert Von Dreele, IPNS and APS; Argonne National Laboratory, Argonne, Illinois, USA

Morning 1b: (9:20am to 9:40am) - BRASS: unter der Motorhaube

Johannes Birkenstock, Central Laboratory for Crystallography (ZEKAM), Department of Geosciences (FB5), University of Bremen, Bremen, Germany

Morning 1c: (9:40am to 10:00am) - Jana: pod kapotou

Vaclav Petricek, Laboratory of Crystallography, Institute of Physics, Academy of Sciences of the Czech Republic Prague, Cukrovarnicka 10, 162 53 Praha 6, Czech Republic.

Morning 1d: (10:00am to 10:20am) - EXPO: sotto il cappuccio

Carmelo Giacovazzo, Institute of Crystallography, Via G. Amendola, 122/O, 70125, Bari, Italy

(Morning tea/coffee/snacks: 10:20am to 11:00am)

Morning 2a: (11:00am to 11:20am) - Fox: sous le capot
- Vincent Favre-Nicolin, CEA/Grenoble, DRFMC/SP2M/Nano-structures et Rayonnement Synchrotron, 17, rue des Martyrs, 38054 Grenoble Cedex 9, France.
Morning 2b: (11:20am to 11:40am) - PDFFIT and Discus: unter der Motorhaube
- Thomas Proffen, Los Alamos Neutron Science Center, Los Alamos National Laboratory, New Mexico, USA
Morning 2c: (11:40am to 12 midday) - MAUD: sotto il cappuccio
- Luca Lutterotti, Dipartimento di Ingegneria dei Materiali e delle, Tecnologie Industriali Universit` a di Trento, 38050 Trento, Italy
Morning 2d: (12 midday to 12:20) - SARAh: under the bonnet
- Andrew Wills, Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, WC1H 0AJ, UK.
Morning 2d: (12:20 to 12:40) - RMCProfile: under the bonnet
- Matt Tucker, Crystallography Group, ISIS Pulsed Neutron & Muon Source, Rutherford Appleton Laboratory , Chilton, Didcot, OX11 0QX, UK.

(Lunch: 12:40 to 2:00pm)

Afternoon

Afternoon 1a: (2:00pm to 2:20pm) - Model-free Aberration Correction: Under the bonnet
- Vladimir Kogan, PANalytical, Almelo, the Netherlands
Afternoon 1b: (2:20pm to 2:40pm) - Derivative Difference Minimization (DDM):
- Leonid Solovyov, Institute of Chemistry and Chemical Technology, K.Marx av., 42, 660049 Krasnoyarsk, RUSSIA.
Afternoon 1c: (2:40pm to 3:00pm) - BGMN: unter der Motorhaube
- Joerg Bergmann, Ludwig-Renn-Allee 14, D-01217 Dresden, Germany
Afternoon 1d: (3:00pm to 3:20pm) - McMaille: sous le capot
- Armel Le Bail, Laboratoire des Fluorures - CNRS ESA 6010, Universite du Maine, Faculte des Sciences, Le Mans, France

(Afternoon tea/coffee/snacks: 3:20pm to 4:00pm)

Afternoon 2a: (4:00pm to 4:20pm) - DASH: under the bonnet
- Anders Markvardsen, ISIS Pulsed Neutron & Muon Source, Rutherford Appleton Laboratory , Chilton, Didcot, OX11 0QX, UK.
Afternoon 2b: (4:20pm to 4:40pm) - XND: sous le capot
- Jean-François Berar, Laboratoire de Cristallographie, CNRS, 25 avenue des Martyrs, BP 166 38042 Grenoble cedex 9, France.
Afternoon 2c: (4:40pm to 5:00pm) - DANSE: under the hood
- Michael Aivazis, Center for Advanced Computing Research, California Institute of Technology, MC 158-79, Pasadena, California 91125, USA
Afternoon 2d: (5:00pm to 5:20pm) - Fullprof and CrysFML: debajo de la cap
- Juan Rodriguez-Carvajal, Laboratoire Leon Brillouin (CEA-CNRS), CEA/Saclay, (CEA/DSM/DRECAM/LLB), 91191 Gif sur Yvette Cedex, France
Afternoon 2d: (5:20pm to 5:40pm) - Topas - under the bonnet
- Arnt Kern, Bruker AXS, Karlsruhe, Germany.

Roundtable Discussion (5:40pm to 6:00pm): Theme: "Where does algorithms development have to go for indexing, solution and refinement in powder diffraction."

Chair: Robert McGreevy, Diffraction & Muons Division, ISIS, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, UK

For any queries, contact Simon Billinge (E-mail: billinge@pa.msu.edu)

Billinge Group Homepage

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