BCA Spring Meeting 2003 University of York Tuesday 15 March to Thursday 17 April 2003

The ability to perform full structure solutions from powder diffraction data has perhaps been one of the most significant crystallographic advances of the past decade. Continuing advances in computational methodologies mean that structures of increasing complexity can be successfully tackled by powder methods. In this joint session between the CCG and the PCG the speakers will highlight how a variety of different approaches (simulated annealing, genetic algorithms, combined annealing and refinement) of different data (lab/synchrotron X-rays, time-of-flight and constant wavelength neutrons) can be used to target both molecular and extended systems of pharmaceutical and technological relevance.

Detailed Programme

13:30 Yuri Andreev (St Andrews) - Structure Determination of Polymer Electrolyte Structures from Powders

14:20 Harriott Nowell (University of Cambridge) - Restrained Rietveld Refinement of Molecular Materials

14:40 Louise Male (University of Bath) - Powder and Single Crystal X-ray Diffraction Studies on Large Organometallic Species

15:00 (Tea Break)

15:30 Mary-Jayne Tremayne (Birmingham) - Replicate, Divide, Mutate, Survive: Evolving crystal structures from PXRD

16:15 Alastair Florence (Strathclyde) - Gaining Information at Low-T with Laboratory Capillary Data Collection