Publications
We are delivering on Cardiff University’s research agenda.
- We have supported over 800 publications including 590 journal outputs.
The following publications demonstrate how high performance computing has benefited University research this year:
- Brekalo, I. et al., 2020. Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks. Chemical Science 11 (8), pp.2141-2147. (10.1039/C9SC05514B)
- Ching, C. R. et al., 2020. Mapping subcortical brain alterations in 22q11.2 deletion syndrome: effects of seletion size and convergence with idiopathic neuropsychiatric illness. American Journal of Psychiatry 177 (7), pp.589-600. (10.1176/appi.ajp.2019.19060583)
- Dosso, J. et al. 2020. Boron-nitrogen-doped nanographenes: a synthetic tale from borazine precursors. Chemistry - A European Journal 26 (29), pp.6608-6621. (10.1002/chem.201905794)
- Douthwaite, M. et al. 2020. Glycerol selective oxidation to lactic acid over AuPt nanoparticles; enhancing reaction selectivity and understanding by support modification. ChemCatChem 12 (11), pp.3097-3107. (10.1002/cctc.202000026)
- Dzade, N. Y. 2020. First-principles insights into the interface chemistry between 4-Aminothiophenol and Zinc Phosphide (Zn3P2) nanoparticles. ACS Omega 5 (2)(10.1021/acsomega.9b02736)
- Dzade, N. Y. 2020. Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation. Physical Chemistry Chemical Physics 22 (3)(10.1039/C9CP03902C)
- Ellis, N. et al., 2020. Genetic risk underlying psychiatric and cognitive symptoms in Huntington’s Disease. Biological Psychiatry 87 (9), pp.857-865. (10.1016/j.biopsych.2019.12.010)
- Fang, K. et al., 2020. Development and validation of a two-layer Boussinesq model for simulating free surface waves generated by bottom motion. Applied Ocean Research 94 101977. (10.1016/j.apor.2019.101977)
- Farkas, B. , Terranova, U. and de Leeuw, N. H. 2020. Binding modes of carboxylic acids on cobalt nanoparticles. Physical Chemistry Chemical Physics 22 (3)(10.1039/C9CP04485J)
- Gadsbøll, K. et al., 2020. Current use of noninvasive prenatal testing in Europe, Australia and the USA: A graphical presentation. Acta Obstetricia et Gynecologica Scandinavica 99 (6), pp.722-730. (10.1111/aogs.13841)
- Hall, L. S. et al. 2020. A transcriptome-wide association study implicates specific pre- and post-synaptic abnormalities in schizophrenia. Human Molecular Genetics 29 (1), pp.159-167. (10.1093/hmg/ddz253)
- Kamble, M. M. et al., 2020. Optical, structural and morphological study of CdS nanoparticles: Role of sulphur source. Nanomaterials and Energy 9 (1)(10.1680/jnaen.19.00041)
- Legge, S. E. et al. 2020. The Duffy-null genotype and risk of infection. Human Molecular Genetics 29 (20), pp.3341-3349. (10.1093/hmg/ddaa208)
- Li, Z. et al., 2020. The HASHTAG project I. A survey of CO(3–2) emission from the star forming disc of M31. Monthly Notices of the Royal Astronomical Society 492 (1), pp.195-290. (10.1093/mnras/stz3409)
- Mandlik, N. T. et al., 2020. Thermoluminescence, photoluminescence and optically stimulated luminescence characteristics of CaSO4:Eu phosphor: experimental and density functional theory (DFT) investigations. Journal of Luminescence 221 117051. (10.1016/j.jlumin.2020.117051)
- Mutter, S. T. et al. 2020. Molecular dynamics simulations of copper binding to amyloid-β Glu22 mutants. Heliyon 6 (1) e03071. (10.1016/j.heliyon.2019.e03071)
- O'Malley, A. J. et al. 2020. Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts. Faraday Discussions 188 , pp.235-255. (10.1039/C6FD00010J)
- Oberkofler, J. et al. 2020. Exploring the reactivity and biological effects of heteroleptic N-Heterocyclic carbene gold(I)-Alkynyl complexes. European Journal of Inorganic Chemistry 2020 (11-12), pp.1040-1051. (10.1002/ejic.201901043)
- Ouaray, Z. et al. 2020. Building better enzymes: molecular basis of improved non-natural nucleobase incorporation by an evolved DNA polymerase. Protein Science 29 (2)(10.1002/pro.3762)
- Platts, J. A. and Baker, R. J. 2020. A computational investigation of orbital overlap versus energy degeneracy covalency in [UE2]2+ (E = O, S, Se, Te) complexes. Dalton Transactions 49 (4)(10.1039/C9DT04484A)
- Porter, K. et al., 2020. Flume testing of passively adaptive composite tidal turbine blades under combined wave and current loading. Journal of Fluids and Structures 93 102825. (10.1016/j.jfluidstructs.2019.102825)
- Pudkon, W. et al., 2020. Enhanced visible-light-driven photocatalytic H2 production and Cr(vi) reduction of a ZnIn2S4/MoS2 heterojunction synthesized by the biomolecule-assisted microwave heating method. Catalysis Science and Technology 10 (9), pp.2838-2854. (10.1039/D0CY00234H)
- Richards, A. et al. 2020. The relationship between polygenic risk scores and cognition in schizophrenia. Schizophrenia Bulletin 46 (2), pp.-. (10.1093/schbul/sbz061)
- Salinas, P. et al., 2020. Vanishing artificial diffusion as a mechanism to accelerate convergence for multiphase porous media flow. Computer Methods in Applied Mechanics and Engineering 359 112535. (10.1016/j.cma.2019.07.004)
- Scott, F. et al., 2020. Development of 2-(4-pyridyl)-benzimidazoles as PKN2 chemical tools to probe cancer. Bioorganic and Medicinal Chemistry Letters 30 (8) 127040. (10.1016/j.bmcl.2020.127040)
- Smallman, L. , Underwood, W. and Artemiou, A. 2020. Simple Poisson PCA: An algorithm for (sparse) feature extraction with simultaneous dimension determination. Computational Statistics 35 , pp.559-577. (10.1007/s00180-019-00903-0)
- Smith, R. J. et al., 2020. The Cloud Factory I: Generating resolved filamentary molecular clouds from galactic-scale forces. Monthly Notices of the Royal Astronomical Society 492 (2), pp.1594-1613. (10.1093/mnras/stz3328)
- Spiller, O. B. et al. 2020. Mycoplasma genitalium prevalence in Welsh sexual health patients: low antimicrobial resistance markers and no association of symptoms to bacterial load. Microbial Pathogenesis 139 103872. (10.1016/j.micpath.2019.103872)
- Stonelake, T. M. et al. 2020. Spectroscopic and theoretical investigation of color tuning in deep-red luminescent iridium(III) complexes. Inorganic Chemistry 59 (4)(10.1021/acs.inorgchem.9b02991)
- Ward, J. et al., 2020. The genomic basis of mood instability: identification of 46 loci in 363,705 UK Biobank participants, genetic correlation with psychiatric disorders, and association with gene expression and function. Molecular Psychiatry 25 , pp.3091-3099. (10.1038/s41380-019-0439-8)
- Wollenberg, K. M. J. et al., 2020. Formation sites of Population III star formation: The effects of different levels of rotation and turbulence on the fragmentation behavior of primordial gas. Monthly Notices of the Royal Astronomical Society 494 (2), pp.1871-1893. (10.1093/mnras/staa289/5721520)
- Xie, Z. et al. 2020. A control volume finite element method for three-dimensional three-phase flows. International Journal for Numerical Methods in Fluids 92 (7), pp.765-784. (10.1002/fld.4805)
- Yan, S. et al., 2020. CCP-WSI Blind Test using qaleFOAM with an improved passive wave absorber. International Journal of Offshore and Polar Engineering 30 (1), pp.43-52. (10.17736/ijope.2020.jc781)
- Yang, Q. E. et al. 2020. Compensatory mutations modulate the competitiveness and dynamics of plasmid-mediated colistin resistance in Escherichia coli clones. ISME Journal 14 , pp.861-865. (10.1038/s41396-019-0578-6)
Publications from previous years are available in our institutional repository.