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2015

Retirement...

2014
  • COD (crystallography Open Database) to more than 300000 entries.
2010
2009
  • Update of the PCOD/P2D2 (predicted crystal structures and powder patterns) to more than 1.000.000 entries which can be used for search-matching powder patterns by EVA.
  • Recent open access paper regarding COD/PCOD developments was published in Journal of Applied Crystallography.


2008

  • Contributions to the XXI IUCr Meeting, 23-31 August 2008, Osaka, Japan
2007
  • Latin American Workshop on Applications of Powder Diffraction, April 16-20, 2007, Campinas, Brazil. Pictures and contributions.
  •  
     

  • Search-match is possible by EVA (Bruker) combined with the P2D2-1 : a positive identification of your experimental powder pattern with the calculated pattern of a predicted crystal structure is now equivalent to an ab initio structure solution, even before indexing. Contact.
  • Creation of the P2D2 (Predicted Powder Diffraction Database) version 1, from > 60.000 PCOD entries.
  • PCOD update with 58.500 new hypothetical models
2006
  • McMaille version 4, parallelized for multi core processors
  • New GRINSP version, parallelized for dual core processors
  • Contributions to XX Conference on Applied Crystallography, Wisla, Poland, 11-14 September 2006
  • Contributions to EPDIC-10, 1-4 September 2006, Geneva
  • Contribution to X-EL 2006, Antwerp (School on Structure Determination by the Combination of X-ray Powder Diffraction and Electron Crystallography), satellite conference of ECM-23 (23rd European Crystallographic Meeting) (zipped).
  • Contribution to the "Gordon Conference Style" Workshop : "Global Optimisation Techniques Applied to the Prediction of Structures, 5-7 July 2006, University College London (.ppt or zipped)
  • Paper about hypothetical AlF3 crystal structures
  • Contribution (in French) to EMC3 (Ecole Marocaine de Cristallographie - 3), Agadir, Morocco (8-12 May, 2006). PowerPoint file, MS Word file and see a few pictures.
  • GRINSP update. The version 2.00 is more user friendly and allows for the modelling of larger structures (up to 192 cations like in faujasite). New satellite software allow for the analysis of the (sometimes) huge lists of predicted inorganic crystal structures.
  • Contribution (in French) to the "Rencontres Scientifiques Soleil/LLB (March 2-3, 2006). Talk about "Progress in Structure Determination by Powder Diffractometry" (.ppt or zipped)
  • PCOD update with > 1000 titanosilicates
2004
2003
  • See the new UPPW service (Unindexed Powder Pattern of the Week).
  • Contribution to SSPD03, Stara Lesna, Slovakia, 14-19 September 2003 (PowerPoint or zipped Powerpoint file, abstract in PDF). See also some pictures.
  • Answer from the IUCr to the COD asking for permission to give a link to their CIFs 
  • Contribution to ECM-21, Durban, South Africa, 24-29 August 2003 (PowerPoint or zipped PowerPoint file). See also a few pictures.
  • Contribution to AFC-2003, Caen, France, 7-10 July 2003 - in French (PowerPoint or zipped Power Point file)
  • Contribution to CONCIM 2003, Bonn, Germany, 8-12 April 2003 (PowerPoint or zipped PowerPoint file). Paper sent to electonic storage ArXiv/HAL/CPS.
  • The Crystallography Open Database : The COD.

2002
  • McMaille : A new powder pattern indexing software by Monte Carlo or grid search in pseudo direct space.
  • SDPDRR-2 : The second Structure Determination by Powder Diffractometry Round Robin - Starting September 9th, 2002.
  • Contribution to SIZE-STRAIN III, Analysis of microstructure and residual stress by diffraction methods, December 2-5, 2001, Trento, Italy. PDF file.
2001
2000
1999
1998
1997
1996
1995
  • ARITVE : Win95 software for amorphous structure modelling based on the Rietveld method
  • SDPD-D : Structure Determination from Powder Diffraction - Database
  • OVERLAP : Win95 software selecting reflections during a SDPD
  • ICDD and Rietveld method
1994



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