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Scientific Computing

Publications arising from CamGrid

2012

  • "Chaotic dynamics near steep transition states", J. R. Green, T. S. Hofer, D. J. Wales and R. S. Berry, accepted in Mol. Phys. (2012).
  • "Hydrogen-bond stabilization in oxyanion holes: grand jete to three dimensions", L. Simon and J. M. Goodman, Org. Biomol. Chem., 10, p:1905-1913 (2012).
  • "Proposal of a one-dimensional electron gas in the steps at the LaAlO3-SrTiO3 interface”, N. C. Bristowe, T. Fix, M. Blamire, P. B. Littlewood and E. Artacho, accepted for publication in Phys. Rev. Lett.
  • "Predicting the mechanism of phospholipidosis", R. Lowe, H. Y. Mussa, F. Nigsch, R. C. Glen and J. B. O. Mitchell, J. of  Cheminformatics, 4:2 doi:10.1186/1758-2946-4-2 (2012).
  • "Probing the neutral graphene-ionic liquid interface: insights from molecular dynamics simulations", M. V. Fedorov and R. M. Lynden-Bell, Phys. Chem. Chem. Phys., 14, p:2552-2556, (2012).
  • "Electrode Screening by Ionic Liquids", R. M. Lynden-Bell, A. I. Frolov and M. V. Fedorov, Phys. Chem. Chem. Phys., 14, p:2693-2701, (2012).
  • "Electrochemical ferroelectric switching: Origin of polarization reversal in ultrathin films", N. C. Bristowe, M. Stengel, P. B. Littlewood, J. M. Pruneda and E. Artacho, Phys. Rev. B, 85, p:024106 (2012).

2011

  • "Antigenic and Genetic Evolution of Equine Influenza A (H3N8) Virus from 1968 to 2007", N. S. Lewis, J. M. Daly, C. A. Russell, D. L. Horton, E. Skepner, N. A. Bryant , D. F. Burke, A. S. Rash, J. L. Wood, T. M. Chambers, R. A. Fouchier, J. A. Mumford, D. M. Elton and D. J. Smith, accepted in J Virol.,  85(23), p:12742-9 (2011).
  • "Discordant antigenic drift of neuraminidase and hemagglutinin in H1N1 and H3N2 influenza viruses.", M. R. Sandbulte, K. B. Westgeest, J. Gao, X Xu, A. I. Klimov, C. A. Russell, D. F. Burke, D. J. Smith, R. A. Fouchier and M. C. Eichelberger, accepted in Proc Natl Acad Sci U S A. (2011).
  • "Multicopy plasmid stability: Revisiting the dimer catastrophe", C. M. Field and D. K. Summers, J. Theoretical Biology, 291, p:119-127, (2011).
  • "Characterizing molecular motion in H2O and H3O+ with dynamical instability statistics", J. R. Green, T. S. Hofer, R. S. Berry and D. J. Wales, J. Chem. Phys., 135, p:184307, (2011).
  • "Genetic diversity in broomcorn millet (Panicum miliaceum L.) across Eurasia", H. V. Hunt, M. G. Campana, M. C. Lawes, Y. J. Park, M. A. Bower, C. J. Howe and M. K. Jones, Molecular Ecology, 20 (22), p:4756–4771, (2011).
  • "Phylogeography of einkorn landraces in the Mediterranean basin and Central Europe: population structure and cultivation history", H. R. Oliveira, H. Jones, F. Leigh, D. L. Lister, M. K. Jones and Leonor Peña-Chocarro, Archaeological and Anthropological Sciences, DOI: 10.1007/s12520-011-0076-x (2011).
  • "Evolutionary reconstruction of the retromer complex and its function in Trypanosoma brucei.", V. L. Koumandou, M. J. Klute, E. K. Herman, R. Nunez-Miguel, J. B. Dacks and M. C. Field, J. Cell Sci., 124 (Pt 9), p:1496-1509, (2011).
  • "Surface defects and conduction in polar oxide heterostructures", N. C. Bristowe, P. B. Littlewood and E. Artacho, Phys. Rev. B, 83, p:205405 (2011).
  • "Evolution of the Karyopherin-β Family of Nucleocytoplasmic Transport Factors; Ancient Origins and Continued Specialization", A. J. O'Reilly, J. B. Dacks and M. C. Field, PLoS ONE, doi:10.1371/journal.pone.0019308 (2011).
  • "ZmeshJ: a Java Model of Dynamic Protein Clusters and Adaptation in Escherichia coli Chemotaxis", A. Howlett, dissertation for Part III Systems Biology (MSci), (2011).
  • "How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals", L. Simon and J. M. Goodman, Org. Biomol. Chem., DOI: 10.1039/C0OB00477D, 9, p:689-700, (2011).
  • "A Model for the Enantioselectivity of Imine Reactions Catalyzed by BINOL-Phosphoric Acid Catalysts", L. Simon and J. M. Goodman, J. Org. Chem., DOI: 10.1021/jo102410r, 76, p:1775-1788, (2011).

2010

  • "Enzyme Catalysis by Hydrogen Bonds: The Balance between Transition State Binding and Substrate Binding in Oxyanion Holes", L. Simon and J. M. Goodman, J. Org. Chem., DOI: 10.1021/jo901503d, 75, p:1831-1840, (2010)
  • "DFT Study on the Factors Determining the Enantioselectivity of Friedel-Crafts Reactions of Indole with N-Acyl and N-Tosylimines Catalyzed by BINOL-Phosphoric Acid Derivatives", L. Simon and J. M. Goodman, J. Org. Chem, DOI: 10.1021/jo902120s, 75, p:589-597, (2010).
  • "Geo-visualisation Fortran Library", G. -T. Chiang, T. O. H. White, M. T. Dove, I. Bovolo and J. Ewen, Computers and Geosciences, DOI: 10.1016/j.cageo.2010.04.012 (2010).
  • "CorrSieve: software for summarizing and evaluating Structure output.", M. G. Campana, H. V. Hunt, H. Jones and J. White, Molecular Ecology Resources, DOI: 10.1111/j.1755-0998.2010.02917.x (2010).
  • "Virulence-associated substitution D222G in hemagglutinin of 2009 pandemic influenza A(H1N1) virus affects receptor binding", D. J. Smith, D. F. Burke et al., J. Virol, DOI: 10.1128/JVI.01136-10 (2010).
  • "Solution structure and dynamics of the small GTPase RalB in its active conformation: significance for effector protein binding.", R. B. Fenwick, S. Prasannan, L. J. Campbell, D. Nietlispach, K. A. Evetts, J. Camonis, H. R. Mott and D. Owen, Biochemistry, 48, p:2192-2206 (2010).
  • "Structure determination of the seven-helix transmembrane receptor sensory rhodopsin II by solution NMR spectroscopy.", A. Gautier, H. R. Mott, M. J. Bostock, J. P. Kirkpatrick and D. Nietlispach, Nat Struct Mol Biol., 17, p:768-774 (2010).
  • "The RalB-RLIP76 complex reveals a novel mode of ral-effector interaction.", R. B. Fenwick, L. J. Campbell, K. Rajasekar, S. Prasannan, D. Nietlispach, J. Camonis, D. Owen and H. R. Mott, Structure, 18, p985-995 (2010).
  • "Reducing over-reporting of deterministic co-occurrence patterns in biotic communities", T. M. Fayle and A. Manica, Ecological Modelling, 221, p:2237-2242 (2010).
  • "Association between anal sac gland carcinoma and DLA-DQB1 in the English cocker spaniel", J. Aguirre-Hernández, G. Polton, L. Kennedy and D. R. Sargan, accepted for publication in Tissue Antigens (2010).
  • "Multifocal Retinal Dysplasia in the German Spitz (Klein and Mittel) is not caused by mutations in BEST1", J. Aguirre-Hernández and D. R. Sargan, Animal Genetics, 41(3), p:333-34 (2010).
  • "Localized Magnetic Fields in Arbitrary Directions using Patterned Nanomagnets", R. P. G. McNeil, R. J. Schneble, M. Kataoka, C. J. B. Ford, T. Kasama, R. E. Dunin-Borkowski, J. M. Feinberg, R. J. Harrison, C. H. W. Barnes, D. H. Y. Tse, T. Trypiniotis, J. A. C. Bland, D. Anderson, G. A. C. Jones and M. Pepper, Nano Letters 10, p:1549 (2010).
  • "Structure Determination of Disordered Materials from Diffraction Data", M. J. Cliffe, M. T. Dove, D. A. Drabold and A. L. Goodwin, Phys. Rev. Lett., 104, p:125501 (2010).
  • "Characterization of a hotspot for mimicry: assembly of a butterfly wing transcriptome to genomic sequence at the HmYb/Sb locus", C. D. Jiggins et al., Molecular Ecology, 19 p:240-254 (2010).
  • "Genomic hotspots for adaptation: the population genetics of Müllerian mimicry in the Heliconius melpomene Clad", C. D. Jiggins et al., PLoS Genetics, 6, p:1000794 (2010).
  • "The topology of the polarization field in ferroelectric nanowires", J. W. Hong, G. Catalan, D. N. Fang, E. Artacho, and J. F. Scott, Phys. Rev. B, 81, p:172101, (2010).
  • "The flexoelectricity of barium and strontium titanates from first principles.", W. Hong, G. Catalan, J. F. Scott, and E. Artacho, J. Phys.: Condensed Matter, 22, p:112201, (2010).
  • "A Simulation of Cell Motility that Reproduces the Force-Velocity Relationship", C. H. Schreiber, M. Stewart, and T. Duke, accepted in Proc. Natl. Acad. Sci. USA.
  • "Evaluation of domain models for β-cristobalite from the pair distribution function", E. R. Cope and M. T. Dove, J. Phys.: Condens. Matt., 22, (12), p:125401, (2010).
  • "Trapping of oxygen vacancies in the twin walls of perovskite", L. Goncalves-Ferreira, S. A. T. Redfern, E. Artacho, E. Salje and W. T. Lee, Phys. Rev. B, 81, (2), p:024109, (2010).

2009

  • "Atomistic and electronic structure of antisite defects in yttrium aluminum garnet: Density-functional study", A. B. Muñoz-Garcia, E. Artacho and L. Seijo, Phys. Rev. B 80, p:01410, (2009).
  • "Oxide superlattices with alternating p and n interfaces", N.C. Bristowe, E. Artacho and P.B. Littlewood, Phys. Rev. B 80, p:045425, (2009).
  • "Phenotypic variation and genotype-phenotype discordance in canine cone-rod dystrophy with an RPGRIP1 mutation", K. Miyadera, K. Kato, J. Aguirre-Hernandez, T. Tokuriki, K. Morimoto, C. Busse, K. Barnett, N. Holmes, H. Ogawa, N. Sasaki, C. S. Mellersh, and D. R. Sargan, Mol Vis, 15, p2287-2305, PMID: 19936303 (2009).
  • "Is precession electron diffraction kinematical? Part II: A practical method to determine the optimum precession angle", A. S. Eggeman, T. A. White and P. A. Midgley, Ultramicroscopy, doi:10.1016/j.ultramic.2009.10.012 (2009).
  • "Is precession electron diffraction kinematical? Part I: Phase-scrambling multi-slice simulations", A. S. Eggeman, T. A. White and P. A. Midgley, Ultramicroscopy, doi:10.1016/j.ultramic.2009.10.013 (2009).
  • "Impact of modulation on CMB B-mode polarization experiment", M. L. Brown, A. Challinor, C. E. North, B. R. Johnson, D. O'Dea and D. Sutton, MNRAS, 397, (2), p. 634-656, (2009).
  • "Improved measurements of the temperature and polarization of the cosmic microwave background from QUaD"", M. Brown et al., ApJ, 705, p. 978-999, (2009).
  • "A genome-wide association study identifies a new ovarian cancer susceptibility locus on 9p22.2", H. Song, S. J. Ramus, J. Tyrer et al., Nature Genetics, 41, p996-1000, (2009).
  • "Aperiodicity, structure, and dynamics in Ni(CN)2", A. L. Goodwin, M. T. Dove, A. M. Chippindale, S. J. Hibble, A. H. Pohl and A. C. Hannon, Phys. Rev. B, 80, 054101, doi:10.1103/PhysRevB.80.054101, (2009).
  • "Disruption of chromosome 11 in canine fibrosarcomas highlights an unusual variability of CDKN2B in dogs", J. Aguirre-Hernández, B. S. Milne, C. Queen, P. C. M. O'Brien, T. Hoather, S. Haugland, M. Ferguson-Smith, J. M. Dobson and D. R. Sargan, BMC Veterinary Research, 5:27, doi:10.1186/1746-6148-5-27, (2009).
  • "Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation", S. G. Smith and J. M. Goodman, J. Org. Chem., 74, p:4597-4607 (2009).
  • "Genotype-phenotype associations: substitution models to detect evolutionary associations between phenotypic variables and genotypic evolutionary rate", T. D. O'Connor and N. I. Mundy, Bioinformatics, 25(12), p:i94-i100 (2009).
  • "The intrinsic Elasticity of Twin Walls: Ferrielectric Twin Walls in Ferroelastic CaTiO3", L. Goncalves-Ferreira, S. A. T. Redfern, E. Artacho and E. K. H. Salje, Appl. Phys. Lett., 94 (8), p81903 (2009).
  • "Electron dynamics in surface acoustic wave devices", A. L. Thorn, PhD thesis at the University of Cambridge (2009).
  • "Electronic refrigeration of a two-dimensional electron gas", J. R. Prance, C. G. Smith, J. P. Griffiths, S. J. Chorley, D. Anderson, G. A. C. Jones, I. Farrer, and D. A. Ritchie, Phys. Rev. Lett., 102, p146602 (2009).
  • "Coherent time evolution of a single-electron wave function", M. Kataoka, M. R. Astley, A. L. Thorn, D. K. L. Oi, C. H. W. Barnes, C. J. B. Ford, D. Anderson, G. A. C. Jones, I. Farrer, D. A. Ritchie, and M. Pepper, Phys. Rev. Lett., 102, p156801 (2009).
  • "Gene distribution and its effect on transcription efficiency", H. G. Schmidt, Z. Sükösd and K. Lipkow, Abstract accepted for presentation at the IET BioSysBio conference, Cambridge, UK. (2009)
  • "Dynamical and chemical effects of FR II radio sources on the intra-cluster medium", M. Huarte-Espinosa, M. Krause, P. Alexander and C. R. Kaiser, accepted for publication in MNRAS.
  • "e-Science for molecular-scale simulations and the e-Minerals project", E. K. H. Salje, E. Artacho, K. F. Austen, R. P. Bruin, M. Calleja, H. F. Chappell, G.- T. Chiang, M. T. Dove, I. Frame, A. L. Goodwin, K. Kleese Van Dam, A. Marmier, S. C. Parker, J. M. Pruneda, I. T. Todorov, K. Trachenko, R. P. Tyer, A. M. Walker and T. O. H. White, Phil. Trans. R. Soc. A, 367, p967-985, (2009).
  • "What is the mechanism of amine conjugate additions to pyrazole crotonate catalyzed by thiourea catalysts?", L. Simon and J. M. Goodman, Org. Biomol. Chem., 7, p483-487, (2009), DOI: 10.1039/b817283h
  • "The Structure of Binder of Arl2 (BART) reveals a novel G protein binding domain: Implications for function", L. K. Bailey, L. J. Campbell, K. A. Evetts, K. Littlefield, E. Rajendra, D. Nietlispach, D. Owen and H. R. Mott, J. Biol. Chem., 284, Issue 2, p992-999, January 9 (2009).

2008

  • "Repeated secondary loss of adaptin complex genes in the Apicomplexa", W. D. Nevin and J. B. Dacks, Parasitol. Int., doi:10.1016/j.parint.2008.12.002 (2008).
  • "Species-Specific Transcription in Mice Carrying Human Chromosome 21", M. D. Wilson, N. L. Barbosa-Morais, D. Schmidt, C. M. Conboy, L. Vanes, V. L. J. Tybulewicz, E. M. C. Fisher, S. Tavaré and D. T. Odom, Science, 322, p434-438, 17 October 2008.
  • "Panglossian Prospects for Detecting Neutralino Dark Matter in Light of Natural Priors", B. C. Allanach and D. Hooper, JHEP10(2008)071, doi: 10.1088/1126-6708/2008/10/071
  • "Magnetic fields in star-forming galaxies at high and low redshift", T. Garn, D. Ford, P. Alexander, D. A. Green and J. M. Riley, in "The Modern Radio Universe: From Planets to Dark Energy" Conference Proceedings; Editors: Beswick, Diamond & Schilizzi
  • "A Semi-Empirical Model of the Infrared Emission from Galaxies", D. C. Ford, B. Nikolic and P. Alexander, MNRAS, doi:10.1111/j.1365-2966.2008.13357.x, (2008)
  • "Computer Simulations of Ferroelastic Twin Walls and Defects in Perovskite", L. Goncalves-Ferreira, PhD thesis at the University of Cambridge (2008).
  • "Ferrielectric Twin Walls in CaTiO3", L. Goncalves-Ferreira, S. A. T. Redfern, E. Artacho and E. K. H. Salje, Phys Rev Lett, 101, 097602 (2008).
  • "Global fits of the large volume string scenario to WMAP5 and other indirect constraints using Markov chain Monte Carlo", B. C. Allanach, M. J. Dolan and A. M. Weber, JHEP08(2008)105.
  • "Evolution of the Multivesicular Body ESCRT Machinery; Retention Across the Eukaryotic Lineage", K. F. Leung, J. B. Dacks and M. C. Field, Traffic, 9(10), p1698-1716, (2008).
  • "A computational study of order-disorder phenomena in Mg2TiO4 spinel (qandilite)", E. J. Palin, A. M. Walker and R. J. Harrison, American Mineralogist, 93, p1363-1372, (2008).
  • "Phase-scrambling multislice simulations of precession electron diffraction", T. A. White, A. S. Eggeman and P. A. Midgley, poster presented at 14th European Microscopy Congress, Aachen (2008).
  • "Job submission to grid computing environments", R. P. Bruin, T. O. H. White, A. M. Walker, K. F. Austen, M. T. Dove, R. P. Tyer, P. A. Couch, I. T. Todorov and M. O. Blanchard, Concurrency and Computation: Practice and Experience, 20(11), p1329-1340, (2008).
  • "Theoretical Study of the Mechanism of Hantzsch Ester Hydrogenation of Imines Catalyzed by Chiral BINOL-Phosphoric Acids", L. Simón and J. M. Goodman, J. Am. Chem. Soc., 130, p.8741-8747 (2008).
  • "Perfectly matched layer boundary conditions in two numerical methods for seismic wave calculations", E. M. C. Klien, PhD thesis at the University of Cambridge (2008).
  • "Computational Studies on Boron-Mediated C-C Bond Formation", R. S. Paton, PhD thesis at the University of Cambridge (2008).
  • "How complex is GTPase signaling in trypanosomes?", M. C. Field and A. J. O'Reilly, Trends Parasitol. 24(6):253-257 (2008).
  • "Lepton number violating mSUGRA and neutrino masses", B. C. Allanach and C. H. Kom, JHEP04(2008)081
  • "Local structure in Ag3[Co(CN)6]: colossal thermal expansion, rigid unit modes and argentophilic interactions", M. J. Conterio, A. L. Goodwin, M. G. Tucker, D. A. Keen, M. T. Dove, L. Peters and J S O Evans, J. Phys.: Condens. Matt. 20, 255225 (2008)
  • "Origin of the colossal positive and negative thermal expansion in Ag3[Co(CN)6]: an ab initio Density Functional Theory study", M. Calleja, A. L. Goodwin and M. T. Dove, J. Phys. Cond. Matter, 20 255226 (9pp) (2008)
  • "Phylogenetic and evolutionary analyses of St. Louis encephalitis virus genomes", G. J. Baillie, S. O. Kolokotronis, E. Waltari, J. G. Maffei, L. D. Kramer and S. L. Perkins, Mol. Phylogenet. Evol., 47(2) p.717-728 (2008)
  • "A Semi-Empirical Model of the Spectra of Dusty Galaxies", D. C. Ford, PhD thesis at the University of Cambridge (2008)
  • "Ices of CO2/H2O Mixtures. Reflection-Absorption IR Spectroscopy and Theoretical Calculations", B. Mate, O. Galvez, B. Martin-Llorente, M. A. Moreno, V. J. Herrero, R. Escribano and E. Artacho, J. of Phys. Chem. A, 112, p.457-465, (2008)
  • "Geometric suppression of single-particle energy spacings in quantum antidots", L. C. Bassett, C. P. Michael, C. J. B. Ford, M. Kataoka, C. H. W. Barnes, M. Y. Simmons and D. A. Ritchie, Physica E: Low-dimensional Systems and Nanostructures, 40, p.1633-1636, (2008)
  • "Investigation of single-electron dynamics in tunnelling between zero- and one-dimensional states", M. Kataoka, M. R. Astley, A. L. Thorn, C. H. W. Barnes, C. J. B. Ford, D. Anderson, G. A. C. Jones, I. Farrer, D. A. Ritchie and M. Pepper, Physica E, 40, p.1017-1021, (2008)
  • "Measurement of Coulomb-energy-dependent tunnelling rates in surface-acoustic-wave-defined dynamic quantum dots", M. R. Astley, M. Kataoka, A. L. Thorn, C. J. B. Ford, C. H. W. Barnes, D. Anderson, G. A. C. Jones, I. Farrer, D. A. Ritchie and M. Pepper, Physica E, 40, p.1136-1138, (2008)
  • "Electron population control of a highly isolated quantum dot using surface acoustic waves", M. Kataoka, R. J. Schneble, A. L. Thorn, C. H. W. Barnes, C. J. B. Ford, D. Anderson, G. A. C. Jones, I. Farrer, D. A. Ritchie and M. Pepper, Physica E, 40, p.1596-1598, (2008)
  • "Wall Shear Rate Distribution for Flow in Random Sphere Packings", P. B. Warren and F. Stepanek, Phys Rev Lett, 100, 084501 (2008).
  • "Colossal Positive and Negative Thermal Expansion in the Framework Material Ag3[Co(CN)6]", A. L. Goodwin, M. Calleja, M. J. Conterio, M. T. Dove, J. S. O. Evans, D. A. Keen, L. Peters and M. G. Tucker, Science, 319, p794-797, 8 February 2008.
  • "The Rac1 Polybasic Region Is Required for Interaction with Its Effector PRK1", R. Modha, L. J. Campbell, D. Nietlispach, H. R. Buhecha, D. Owen and H. R. Mott, J. Biol. Chem., 283, Issue 3, 1492-1500, January 18, 2008.
  • "Phylogeny of endocytic components yields insight into the process of nonendosymbiotic organelle evolution", J. B. Dacks, P. P. Poon and M. C. Field, P.N.A.S. 105 (2) p.588-593 (2008).

2007

  • "A computational investigation of cation ordering phenomena in the binary spinel system MgAl2O4-FeAl2O4", E. J. Palin and R. J. Harrison, Mineralogical Magazine, 71 (6), p611-624 (2007).
  • "Calibrating the timeline of eukaryotic evolution", G. Walker and J. Dacks, poster presented at Royal Society Discussion meeting on Photosynthetic and Atmospheric Evolution (2007)
  • "Sparticle Spectra and LHC Signatures for Large Volume String Compactifications", J. P. Conlon, C. H. Kom, K. Suruliz, B. C. Allanach and F. Quevedo, Journal of High Energy Physics, 0708, (2007) 061
  • "Structural Properties of MgSiO3 Perovskite, Twin Walls and Their Binding to Oxygen Vacancies at High Pressures from Force Field Simulations", L. Goncalves-Ferreira, S. A. T. Redfern and E. Artacho Eos Trans. AGU, 88(52), Fall Meet. Suppl., Abstract MR13C-1400 (2007)
  • "Building Infrastructure for Environmental eScience", G-T. Chiang, MPhil thesis at the University of Cambridge (2007)
  • "Driving Google Earth from Fortran", G-T. Chiang, T. White and M. T. Dove, Proceedings of All Hands Meeting, 236-243, ISBN 9780955398834, (2007)
  • "Natural Priors, CMSSM Fits and LHC Weather Forecasts", B. C. Allanach, C. G. Lester and A. M. Weber, Journal of High Energy Physics, 08, (2007) 023
  • "Origin of the compressibility anomaly in amorphous silica", A. M. Walker, L. A. Sullivan, K. Trachenko, R. P. Bruin, T. O. H. White, R. P. Tyer, I. L. Todorov, S. A. Wells and M. T. Dove, J. Phys. Cond. Matter, 19, 275210, (2007)
  • "Single-electron population and depopulation of an isolated quantum dot using a surface-acoustic-wave pulse", M. Kataoka, R, J. Schneble, A. L. Thorn, C. H. W. Barnes, C. J. B. Ford, D. Anderson, G. A. C. Jones, I. Farrer, D. A. Ritchie and M. Pepper, Phys Rev Lett, 98, 046801 (2007).
  • "Collapse of nonequilibrium charge states in an isolated quantum dot using surface acoustic waves", R. J. Schneble, M. Kataoka, C. J. B. Ford, C. H. W. Barnes, D. Anderson, G. A. C. Jones, I. Farrer, D. A. Ritchie, and M. Pepper, Phys Rev B, 75, 115310 (2007) .
  • "The perfectly matched layer in a novel triangular finite element method for seismic waves", E. Klien and A. J. Haines, poster presented at the European Geosciences Union (2007).
  • "Development of a grid computing infrastructure to support combinatorial simulation studies of pollutant organic molecules on mineral surfaces", R. P. Bruin, PhD thesis at the University of Cambridge (2007)

2006

  • "Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within the eMinerals escience project", M. T. Dove, L. A. Sullivan, A. M. Walker, R. P. Bruin, T. O. H. White, K. Trachenko, P. Murray-Rust, I. T. Todorov, R. P. Tyer, P. A. Couch, K. Kleese van Dam and W. Smith, Molecular Simulation, 32 p.949-952. (2006)
  • "Developing lightweight application execution mechanisms in grids", L. He, M. T. Dove, M. A. Hayes, P. Murray-Rust, M. Calleja, X. Yang and V. Milman, Proceedings of All Hands Meeting, (ISBN 978-0-9553988-1-0), pp 201-208, (2006)
  • "Job submission to grid computing environments", R. P. Bruin, T. O. H. White, A. M. Walker, K. F. Austen, M. T. Dove, R. P. Tyer, P. A. Couch, I. T. Todorov and M. O. Blanchard, Proceedings of All Hands Meeting, (ISBN 0-9553988-0-0), pp 754-761, (2006)
  • "A Grid Enabled Monte Carlo Hyperspectral Synthetic Image Remote Sensing Model (GRID-MCHSIM) for Coastal Water Quality Algorithm Research", G-T. Chiang, M. T. Dove, S. Ballard and C. Bostater, Remote Sensing of the Ocean, Sea Ice, and Large Water Regions 2006, SPIE, 6360, 636009-1, ISBN 9780819464552 (2006)
  • "Examination of surface acoustic wave reflections by observing acousto-electric current generation under pulse-modulation", M. R. Astley, M. Kataoka, R. J. Schneble, C. J. B. Ford, C. H. W. Barnes, D. Anderson, G. A. C. Jones, H. E. Beere, D. A. Ritchie and M. Pepper, App Phys Lett, 89, 132102 (2006)
  • "Examination of multiply-reflected surface acoustic waves by observing acousto-electric current generation under pulse-modulation", M. R. Astley, M. Kataoka, C. J. B. Ford, C. H. W. Barnes, D. Anderson, G. A. C. Jones, H. E. Beere, D. A. Ritchie and M. Pepper, Phys Rev B, 74, 193302 (2006)
  • "The Dark Side of mSUGRA", B. C. Allanach, C. G. Lester and A. M. Weber, Journal of High Energy Physics, 12, 065, (2006)
  • "Changing Cellular Location of CheZ Predicted by Molecular Simulations", K. Lipkow, PLoS Computational Biology, 2, No. 4, (2006)

2005

  • "eScience methods for the combinatorial chemistry problem of adsorption of pollutant organic molecules on mineral surfaces", T. O. White, R. P. Bruin, J. Wakelin, C. Chapman, D. Osborn, P. Murray-Rust, E. Artacho, M. T. Dove and M. Calleja, Proceedings of All Hands Meeting, (2005)
  • "A global resource for computational chemistry", P. Murray-Rust, H. S. Rzepa, J. J. P. Stewart and Y. Zhang, Journal of Molecular Modeling, 11 (6), p532-541, (2005)

2004