Shankland, Kenneth - University of Reading

研究领域

Kenneth's main scientific interests lie in the area of structures and transformations in pharmaceutical materials and he is heavily involved in software development for crystallographic analysis of these and other systems. His work with Prof. Bill David of the STFC Rutherford Lab on the subject of global optimisation strategies for the structure determination of molecular materials from powder diffraction data led to the publication of several key papers in the field and ultimately to the production of the DASH software package. DASH is marketed to both academic and industrial users by the Cambridge Crystallographic Data Centre. His underlying interest in the use of computing methodologies to further this work has seen particular utility in the development of highly parallelised versions of DASH and other closely-related codes that run on distributed computing systems, including cloud services. He is an expert user of the CAF's D8 powder diffractometers and a regular user of diffraction beamlines at central facilities.

近期论文

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Al-Ani, W., Shankland, K. and Cobb, A. J. A. (2016) Asymmetric organocatalytic synthesis of cyclopentane γ-nitroketones. Synlett, 27 (1). pp. 17-20. ISSN 0936-5214 doi: 10.1055/s-0035-1560504 Spillman, M. J., Shankland, K., Williams, A. C. and Cole, J. C. (2015) CDASH: a cloud-enabled program for structure solution from powder diffraction data. Journal of Applied Crystallography, 48 (6). pp. 2033-2039. ISSN 0021-8898 doi: 10.1107/S160057671502049X Aitken, L. S., Hammond, L. E., Sundaram, R., Shankland, K., Brown, G. D. and Cobb, A. J. A. (2015) Asymmetric cyclopropanation of conjugated cyanosulfones using a novel cupreine organocatalyst: rapid access to d3-amino acids. Chemical Communications, 51 (70). pp. 13558-13561. ISSN 1359-7345 doi: 10.1039/c5cc05158d Warzecha, M., Calvo-Castro, J., Kennedy, A. R., Macpherson, A. N., Shankland, K., Shankland, N., McLean, A. J. and McHugh, C. J. (2015) Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency. Chemical Communications, 51 (6). pp. 1143-1146. ISSN 1359-7345 doi: 10.1039/c4cc08468c