Richard Cooper

Aug 022016

Acta. Cryst. (2016) B72(4), 439-459 [ doi:10.1107/S2052520616007447 ] A. M. Reilly, R. I. Cooper, C. S. Adjiman, S. Bhattacharya, A. D. Boese, J. G. Brandenburg, P. J. Bygrave, R. Bylsma, J. E. Campbell, R. Car, D. H. Case, R. Chadha, J. C. Cole, K. Cosburn, H. M. Cuppen, F. Curtis, G. M. Day, R. A. DiStasio Jr, A. Dzyabchenko, B. P. van Eijck, D. M. Elking, J. A. van den Ende, J. C. Facelli, M. B. Ferraro, L. Fusti-Molnar, C.-A. Gatsiou, T. S. Gee, R. de Gelder, L. M. Ghiringhelli, H. Goto, S. Grimme, R. Guo, D. W. M. Hofmann, J. Hoja, R. K. Hylton, L. Iuzzolino, W. Jankiewicz, D. T. de Jong, J. Kendrick, N. J. J. de Klerk, H.-Y. Ko, L. N. Kuleshova, X. Li, S. Lohani, F. J. J. Leusen, A. M. Lund, J. Lv, Y. Ma, N. Marom, A. E. Masunov, P. McCabe, D. P. McMahon, H. Meekes, M. P. Metz, A. J. Misquitta, S. Mohamed, B. Monserrat, R. J. Needs, M. A. Neumann, J. Nyman, S. Obata, H. Oberhofer, A. R. Oganov, A. M. Orendt, G. I. Pagola, C. C. Pantelides, C. J. Pickard, R. Podeszwa, L. S. Price, S. L. Price, A. Pulido, M. G. Read, K. Reuter, E. Schneider, C. Schober, G. P. Shields, P. Singh, I. J. Sugden, K. Szalewicz, C. R. Taylor, A. Tkatchenko, M. E. Tuckerman, F. Vacarro, M. Vasileiadis, A. Vazquez-Mayagoitia, L. Vogt, Y. Wang, R. E. Watson, G. A. de Wijs, J. Yang, Q. Zhu and C. R. Groom

predictionsThe sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a chloride salt hydrate, a co-crystal and a bulky flexible molecule. This blind test has seen substantial growth in the number of participants, with the broad range of prediction methods giving a unique insight into the state of the art in the field.

Publisher’s copy

Jun 232016

mercerAlex is undertaking a research project attempting to automatically model severe disorder with crystal structures using a Monte-Carlo approach. Alex is firmly in the computational side of the research group avoiding any crystallisation or actual diffraction at all costs.


Jun 232016

robbieOliver joins the group undertaking a project searching for trends and correlations between crystal structure similarity and molecular similarity. He will also attempt to extend his analysis to co-crystal formation rules for which he will undertake and analyse a significant number of combinatorial experiments.

Outside work he spends much of his free time at the bank in his role as treasurer of various adventurous University societies including caving, orienteering and scuba diving.

Jun 232016

katieKatie is investigating crystallisation properties of different classes of materials. The results will be compared with crystallisability predictions carried out as part of <a title=”Mr. Jerome G. P. Wicker (D.Phil. 2013-2016)” href=””>Jerome Wicker</a>’s Part II and DPhil research, and previous measurement of molecular crystallisation properties.

Katie undertook rapid prototyping of her crystallisation apparatus using Lego, LEDs, plenty of solder and a Raspberry Pi computer. After work she enjoys her role as Safety Officer of the University pistol club.

Jun 232016

baker16Jo is investigating crystalline materials which undergo light-induced changes in the solid-state. We will make use of these materials as model systems for in situ tracking by diffraction of conformational changes and reactions which can be triggered by external stimuli.

Apr 082016

group16The 2016 British Crystallographic Meeting Spring Meeting took place at the University of Nottingham from 4th – 7th April. Contributions from Chem. Cryst. staff and students were:

Jerome G. P. Wicker, Bill I. F. David & Richard I. Cooper
When will it Crystallise? (Talk in session: From Amorphous to Crystal)

Jo Baker & Richard I. Cooper
Making and Measuring Photoswitchable Materials (Talk in session: Young Crystallographers’ Satellite)

Pascal Parois, Karim J. Sutton & Richard I. Cooper
On the application of leverage analysis to parameter precision using area detector strategies (Poster)

Oliver Robshaw & Richard I. Cooper
The role of molecular similarity in crystal structure packing (Poster)

Katie McInally & Richard I. Cooper
Linking crystallization prediction, theory and experiment using solubility curve determination (Poster)

Richard I. Cooper, Pascal Parois & David J. Watkin
Non-routine single crystal structure analyses using CRYSTALS (Poster)

Alex Mercer & Richard I. Cooper
Fitting Disordered Crystal Structures by Simulated Annealing of an Ensemble Model (Poster)


Apr 022016

wombatThe 30th biennial conference of the Society of Crystallographers of Australia and New Zealand (Crystal30) was held in Hobart, Tasmania in March 2016.
Richard Cooper gave a keynote entitled “Routine problems and non-routine solutions in single crystal structure analyses” in which he discussed the use of the CRYSTALS software (and other tools) to address commonly occurring problems in crystallographic analysis.

Mar 072016

Acta. Cryst. (2016) C72, 261-267 [ doi:10.1107/S2053229616003570 ]

snipA study of post-refinement absolute structure determination using previously published data was carried out using the CRYSTALS software package. We show that absolute structure determination may be carried out optimally using the analyses available in CRYSTALS, and that it is not necessary to have the separate procedures absolute structure determination and no inter­est in absolute structure as proposed by Flack [Chimia (2014), 68, 26–30].

Publisher’s copy

Dec 232015

ecrislaThe 3rd Edition of the School of Crystallisation and Crystallography for Latin America organised by Prof. Carlos Campos was held in December in Florianópolis, Brazil. The quiet setting in a monastery south of the main centre of Florianópolis provided ideal conditions for an intensive week of crystallography lectures, posters and discussions. Richard Cooper attended to lecture on crystallographic modelling and structure solution methods.