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Opening hours of the registration desk
(NWII building, close to lecture hall H19)
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Wednesday, October 4, 2000 |
8:00 - 12:45, 14:45-15:30 |
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Thursday, October 5, 2000 |
8:00 - 13:00 |
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Friday, October 6, 2000 |
8:00 - 13:00 |
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Programme:
Wednesday, October 4, 2000 (Main Topic: Direct Space methods)
Chairman: Robert E. Dinnebier
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Time ? |
What ? |
Who ? |
Where ? |
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8.00-10.00 |
Registration |
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Building: NWII, Room: H19 |
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9.30 |
Opening and welcome |
R. Dinnebier,
S. van Smaalen |
Building: NWII, Room: H19 |
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9.45 |
Simulated Annealing (DASH program) |
W.I.F.David |
Building: NWII, Room: H19 |
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10.30 |
Global optimization algorithm |
K. Shankland |
Building: NWII, Room: H19 |
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11.15 |
Coffee/tea |
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Building: NWII, Room: H19 |
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11.45 |
Monte Carlo methods |
M. Tremayne |
Building: NWII, Room: H19 |
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12.30 |
Lunch break |
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Mensa |
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13.30 |
Full-profile Simulated Annealing Method for Solving Complex Molecular Structures from Powder Diffraction Data |
Y. Andreev |
Building: NWII, Room: H19 |
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14.15 |
Powder Solve in action |
F. Leusen |
Building: NWII, Room: H19 |
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14.45 |
Coffee/tea |
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Building: NWII, Room: H19 |
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15.15-18.45 |
Exercises / Demonstrations part I |
all |
CIP Pools |
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19.00 |
Mixer (sponsored by Philips Analytical) |
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Building NWII, Foyer
at the posters |
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Thursday, October 5, 2000 (Main Topic: Direct methods/ Patterson methods/ Energy minimization)
Chairman: William I. F. David
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Time ? |
What ? |
Who ? |
Where ? |
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9.00 |
Advances into the EXPO package |
C. Giacovazzo |
Building: NWII, Room: H19 |
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10.00 |
Patterson search methods |
J. Rius |
Building: NWII, Room: H19 |
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11.00 |
Coffee/tea |
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Building: NWII |
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11.30 |
Energy minimization techniques |
M .U. Schmidt |
Building: NWII, Room: H19 |
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12.30 |
Lunch break |
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Mensa |
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13.30 |
Simultaneous Optimization of Pattern Difference and Potential Energy: Structure Solution Using Endeavour |
H. Putz |
Building: NWII, Room: H19 |
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14.00 |
DASH demonstration |
S. Maginn |
Building: NWII, Room: H19 |
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14.30 |
Coffee/tea |
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Building: NWII |
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15.00-19.00 |
Exercises/ Demonstrations part II |
all |
CIP Pools |
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Friday, October 6, 2000 (Main topic: Rietveld refinement)
Chairman: Carmelo Giacovazzo
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Time ? |
What ? |
Who ? |
Where ? |
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9.00 |
New Rietveld program JANA |
S. van Smaalen |
Building: NWII, Room: H19 |
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9.45 |
Presentation of a new Rietveld program |
R. X. Fischer |
Building: NWII, Room: H19 |
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10.30 |
Coffee/tea |
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11.00 |
Case study of a complicated Rietveld Refinement using GSAS
– Size Strain, Rigid Bodies, etc.
(Preparation for exercise) |
R. Dinnebier |
Building: NWII, Room: H19 |
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12.30 |
Lunch (mensa) |
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Building: NWII, Room: H19 |
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13.30 |
Rietveld refinement at high pressure |
R. Angel |
Building: NWII, Room: H19 |
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14.30 |
Structure Determination from Powder and Single Crystal Data by Simulated Annealing |
A. Kern |
Building: NWII, Room: H19 |
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15.00 |
Coffee/tea |
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15.30-19.00 |
Exercises / Demonstrations part III |
All |
CIP Pools |
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15.30-17.00 |
Visiting the laboratory of Crystallography for
a group of interested people |
Sander van Smaalen |
BGI building, 2nd floor |
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19.30 |
Informal get together and dinner |
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Speisegaststätte "Röhrensee"
Pottensteinerstrasse 5
Tel: 0921-64593 |
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Saturday, October 7, 2000 (Main Topic: Special strategies/ aplications/ data bases)
Chairman: Jordi Rius
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Time ? |
What ? |
Who ? |
Where ? |
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9.00 |
The ICSD database |
R. Allmann |
Building: NWII, Room: H19 |
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9.30 |
The ICDD database |
J. Faber |
Building: NWII, Room: H19 |
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10.00 |
The CCDC database |
J. Cole |
Building NWII, Room: H19 |
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10.30 |
Coffee/tea |
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11.00 |
Freely Available Software tools to aid in Structure Solution from Powder Diffraction |
L. Cranswick |
Building NWII, Room: H19 |
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11.45 |
Structure determination of complicated framework structures from powder data |
H. Gies |
Building: NWII, Room: H19 |
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12.30 |
The Maximum Entropy Method |
M. Schneider |
Building: NWII, Room: H19 |
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13.00 |
Pizza |
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Building: NWII |
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14.00 |
Application of powder diffraction in pharmaceutical sciences |
P. Sieger |
Building: NWII, Room: H19 |
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14.30 |
Coffee/tea |
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Building: NWII |
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15.00-19.00 |
Exercises / Demonstrations part IV |
all |
CIP Pools |
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Sunday, October 8, 2000 (Main Topic: Exercises
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Time ? |
What ? |
Who ? |
Where ? |
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9.00-12.00 |
Exercises part V |
all |
CIP Pools |
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12.00 |
Closing and "good-bye" |
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