Publications 2009

2009 (79 articles)

Yanjun Ma, Andy Way, " Bilingually motivated domain-adapted word segmentation for statistical machine translation", Proceedings of the 12th Conference of the European Chapter of the Association for Computational Linguistics on - EACL '09, book, 2009 , , Source
W. McKiver, Z. Neufeld, I. Scheuring, " Plankton bloom controlled by horizontal stirring", Nonlinear Processes in Geophysics, 16, 2009 , 623--630, Source
William Lee, Nicola Jean, Stefano Sanvito, " Exploring the limits of the self-consistent Born approximation for inelastic electronic transport", Phys. Rev. B, 79, 2009 , , Source
William J. McKiver, Zoltan Neufeld, " Influence of turbulent advection on a phytoplankton ecosystem with nonuniform carrying capacity", Phys. Rev. E, 79, 2009 , , Source
T. P. Downes, S. O'Sullivan, " NONIDEAL MAGNETOHYDRODYNAMIC TURBULENT DECAY IN MOLECULAR CLOUDS", The Astrophysical Journal, 701, 2009 , 1258--1268, Source
Tido Semmler, Ray McGrath, Susan Steele-Dunne, Jenny Hanafin, Paul Nolan, Shiyu Wang, " Influence of climate change on heating and cooling energy demand in Ireland", International Journal of Climatology, , 2009 , n/a--n/a, Source
Sujeet K. Shukla, Stefano Sanvito, " Electron transport across electrically switchable magnetic molecules", Phys. Rev. B, 80, 2009 , , Source
Stefano Sanvito, Chaitanya Das Pemmaraju, " Comment on Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO", Phys. Rev. Lett., 102, 2009 , , Source
S. O'Sullivan, B. Reville, A. M. Taylor, " Stochastic particle acceleration in the lobes of giant radio galaxies", Monthly Notices of the Royal Astronomical Society, 400, 2009 , 248--257, Source
Shane McDermott, Christopher B. George, Giorgos Fagas, James C. Greer, Mark A. Ratner, " Tunnel Currents across Silane Diamines/Dithiols and Alkane Diamines/Dithiols: A Comparative Computational Study", J. Phys. Chem. C, 113, 2009 , 744--750, Source
Run Long, Niall J. English, Ying Dai, " First-Principles Study of S Doping at the Rutile TiO2(110) Surface", J. Phys. Chem. C, 113, 2009 , 17464--17470, Source
Run Long, Niall J. English, " Synergistic Effects of Bi/S Codoping on Visible Light-Activated Anatase TiO2Photocatalysts from First Principles", J. Phys. Chem. C, 113, 2009 , 8373--8377, Source
Run Long, Niall J. English, " Magnetic properties of first-row element-doped ZnS semiconductors: A density functional theory investigation", Phys. Rev. B, 80, 2009 , , Source
Run Long, Niall J. English, " First-principles calculation of nitrogen-tungsten codoping effects on the band structure of anatase-titania", Applied Physics Letters, 94, 2009 , 132102, Source
Run Long, Niall J. English, " Energetic and Electronic Properties of P Doping at the Rutile TiO2(110) Surface from First Principles", J. Phys. Chem. C, 113, 2009 , 9423--9430, Source
Run Long, Niall J. English, " Density functional theory description of the mechanism of ferromagnetism in nitrogen-doped SnO2", Physics Letters A, 374, 2009 , 319--322, Source
Run Long, Niall J. English, " Band gap engineering of (N", Chem. Phys. Lett., 478, 2009 , 175--179, Source
R. A. Bennett, J. S. Mulley, M. Basham, M. Nolan, S. D. Elliott, P. A. Mulheran, " Non-stoichiometric oxide and metal interfaces and reactions", Applied Physics A, 96, 2009 , 543--548, Source
P R L Keating, D O Scanlon, G W Watson, " Intrinsic ferromagnetism in CeO2: dispelling the myth of vacancy site localization mediated superexchange", Journal of Physics: Condensed Matter, 21, 2009 , 405502, Source
P. Mc Donnell, N. Harrison, M.A.K. Liebschner, P.E. Mc Hugh, " Simulation of vertebral trabecular bone loss using voxel finite element analysis", Journal of Biomechanics, 42, 2009 , 2789--2796, Source
Pavel V. Baranov, Maxime Venin, Gregory Provan, " Codon Size Reduction as the Origin of the Triplet Genetic Code", PLoS ONE, 4, 2009 , e5708, Source
Niall J. English, William F. Long, " Estimation of zeta potentials of titania nanoparticles by molecular simulation", Physica A: Statistical Mechanics and its Applications, 388, 2009 , 4091--4096, Source
Niall J. English, John S. Tse, " Mechanisms for Thermal Conduction in Methane Hydrate", Phys. Rev. Lett., 103, 2009 , , Source
Niall J. English, John S. Tse, Declan J. Carey, " Mechanisms for thermal conduction in various polymorphs of methane hydrate", Phys. Rev. B, 80, 2009 , , Source
Niall J. English, Grainne M. Phelan, " Molecular dynamics study of thermal-driven methane hydrate dissociation", J. Chem. Phys., 131, 2009 , 074704, Source
Niall J. English, Gleb Y. Solomentsev, Paul OBrien, " Nonequilibrium molecular dynamics study of electric and low-frequency microwave fields on hen egg white lysozyme", J. Chem. Phys., 131, 2009 , 035106, Source
Niall J. English, Damian A. Mooney, " Very Different Responses to Electromagnetic Fields in Binary Ionic Liquid-Water Solutions", J. Phys. Chem. B, 113, 2009 , 10128--10134, Source
Niall J. English, Damian A. Mooney, " Electromagnetic field effects on binary dimethylimidazolium-based ionic liquid/water solutions", Phys. Chem. Chem. Phys., 11, 2009 , 9370, Source
Natasha M. Galea, David O. Scanlon, Paul Martin, Graeme W. Watson, Paul Sherwood, " Testing Interatomic Potentials for QM/MM Embedded-Cluster Calculations on Ceria Surfaces", e-Journal of Surface Science and Nanotechnology, 7, 2009 , 413--420, Source
Nadjib Baadji, Manuel Piacenza, Tugba Tugsuz, Fabio~Della Sala, Giuseppe Maruccio, Stefano Sanvito, " Electrostatic spin crossover effect in polar magnetic molecules", Nature Materials, 8, 2009 , 813--817, Source
Michael Nolan, " Molecular Adsorption on the Doped (110) Ceria Surface", J. Phys. Chem. C, 113, 2009 , 2425--2432, Source
Michael Nolan, James S. Mulley, Roger A. Bennett, " Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface", Phys. Chem. Chem. Phys., 11, 2009 , 2156, Source
Michael Nolan, " Healing of oxygen vacancies on reduced surfaces of gold-doped ceria", J. Chem. Phys., 130, 2009 , 144702, Source
Louis De Barros, Christopher J. Bean, Ivan Lokmer, Gilberto Saccorotti, Luciano Zuccarello, Gareth S. O'Brien, Jean-Philippe Metaxian, Domenico Patan`e, " Source geometry from exceptionally high resolution long period event observations at Mt Etna during the 2008 eruption", Geophysical Research Letters, 36, 2009 , , Source
L. F. C. Pereira, C. G. Rocha, A. Latge, J. N. Coleman, M. S. Ferreira, " Upper bound for the conductivity of nanotube networks", Applied Physics Letters, 95, 2009 , 123106, Source
Kun Tao, V. S. Stepanyuk, W. Hergert, I. Rungger, S. Sanvito, P. Bruno, " Switching a Single Spin on Metal Surfaces by a STM Tip:Ab~InitioStudies", Phys. Rev. Lett., 103, 2009 , , Source
J. P. M��taxian, G. S. O'Brien, C. J. Bean, B. Valette, M. Mora, " Locating volcano-seismic signals in the presence of rough topography: wave simulations on Arenal volcano", Geophysical Journal International, 179, 2009 , 1547--1557, Source
Jose-Antonio Garate, Niall J. English, J. M. D MacElroy, " Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes", J. Chem. Phys., 131, 2009 , 114508, Source
John M. Simmie, Henry J. Curran, " Formation Enthalpies and Bond Dissociation Energies of Alkylfurans. The Strongest CX Bonds Known?", J. Phys. Chem. A, 113, 2009 , 5128--5137, Source
John M. Simmie, Henry J. Curran, " Energy Barriers for the Addition of H", J. Phys. Chem. A, 113, 2009 , 7834--7845, Source
Jerzy Moc, John M. Simmie, Henry J. Curran, " The elimination of water from a conformationally complex alcohol: A computational study of the gas phase dehydration of n-butanol", Journal of Molecular Structure, 928, 2009 , 149--157, Source
Jerzy Moc, Grainne Black, John M. Simmie, Henry J. Curran, George Maroulis, Theodore E. Simos, " The Unimolecular Decomposition and H Abstraction Reactions by HO and HO[sub 2] from n-Butanol", AIP Conference Proceedings, book, 2009 , , Source
Javier Mu~noz-Garcia, Zoltan Neufeld, Boris N. Kholodenko, " Positional Information Generated by Spatially Distributed Signaling Cascades", PLoS Computational Biology, 5, 2009 , e1000330, Source
Javier Mu~noz-Garcia, Zoltan Neufeld, " Aggregation of chemotactic organisms in a differential flow", Phys. Rev. E, 80, 2009 , , Source
JAMES T. MURPHY, RAY WALSHE, MARC DEVOCELLE, " MODELING THE POPULATION DYNAMICS OF ANTIBIOTIC-RESISTANT BACTERIA: AN AGENT-BASED APPROACH", International Journal of Modern Physics C, 20, 2009 , 435--457, Source
James Mc Donald, Aaron Golden, S. Gerard Jennings, " Opendda: a Novel High-Performance Computational Framework for the Discrete Dipole Approximation", The International Journal of High Performance Computing Applications, 23, 2009 , 42--61, Source
J.-A. Garate, N.J. English, J.M.D. MacElroy, " Carbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields", Molecular Simulation, 35, 2009 , 3--12, Source
Ivan Rungger, Oleg Mryasov, Stefano Sanvito, " Resonant electronic states andI-Vcurves of Fe/MgO/Fe(100) tunnel junctions", Phys. Rev. B, 79, 2009 , , Source
Ivan Lokmer, Gareth S. O'Brien, Daniel Stich, Christopher J. Bean, " Time reversal imaging of synthetic volcanic tremor sources", Geophysical Research Letters, 36, 2009 , , Source
Irene Yeriskin, Michael Nolan, " Effect of La doping on CO adsorption at ceria surfaces", J. Chem. Phys., 131, 2009 , 244702, Source
Greg Szulczewski, Stefano Sanvito, Michael Coey, " A spin of their own", Nature Materials, 8, 2009 , 693--695, Source
Greg Gannon, J. Andreas Larsson, Damien Thompson, " Monolayer Packing", J. Phys. Chem. C, 113, 2009 , 7298--7304, Source
G Kells, N Moran, J Vala, " Finite size effects in the Kitaev honeycomb lattice model on a torus", Journal of Statistical Mechanics: Theory and Experiment, 2009, 2009 , P03006, Source
Giorgos Fagas, James C. Greer, " Ballistic Conductance in Oxidized Si Nanowires", Nano Letters, 9, 2009 , 1856--1860, Source
G. Gannon, J. A. Larsson, J. C. Greer, D. Thompson, " Quantification of Ink Diffusion in Microcontact Printing with Self-Assembled Monolayers", Langmuir, 25, 2009 , 242--247, Source
Gareth S. O'Brien, Christopher J. Bean, " Volcano topography", Journal of Volcanology and Geothermal Research, 183, 2009 , 122--136, Source
Gareth S. OBrien, Chris J. Bean, Honore Tapamo, " Dispersion analysis and computational efficiency of elastic lattice methods for seismic wave propagation", Computers & Geosciences, 35, 2009 , 1768--1775, Source
Fergal P. Casey, Emilie Pihan, Denis C. Shields, " Discovery of Small Molecule Inhibitors of Protein-Protein Interactions Using Combined Ligand and Target Score Normalization", Journal of Chemical Information and Modeling, 49, 2009 , 2708--2717, Source
E. Rico, R. Hübener, S. Montangero, N. Moran, B. Pirvu, J. Vala, H.J. Briegel, " Valence-bond states: Link models", Annals of Physics, 324, 2009 , 1875--1896, Source
Edina Rosta, Nicolae-Viorel Buchete, Gerhard Hummer, " Thermostat Artifacts in Replica Exchange Molecular Dynamics Simulations", Journal of Chemical Theory and Computation, 5, 2009 , 1393--1399, Source
D. Shin, J. S. Foord, D. J. Payne, T. Arnold, D. J. Aston, R. G. Egdell, K. G. Godinho, D. O. Scanlon, B. J. Morgan, G. W. Watson, E. Mugnier, C. Yaicle, A. Rougier, L. Colakerol, P. A. Glans, L. F. J. Piper, K. E. Smith, " Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy", Phys. Rev. B, 80, 2009 , , Source
David O. Scanlon, Natasha M. Galea, Benjamin J. Morgan, Graeme W. Watson, " Reactivity on the (110) Surface of Ceria: A GGA+U Study of Surface Reduction and the Adsorption of CO and NO2", J. Phys. Chem. C, 113, 2009 , 11095--11103, Source
David O. Scanlon, Graeme W. Watson, " (Cu2S2)(Sr3Sc2O5)-A Layered", Chemistry of Materials, 21, 2009 , 5435--5442, Source
David O. Scanlon, Benjamin J. Morgan, Graeme W. Watson, " Modeling the polaronic nature of p-type defects in Cu2O: The failure of GGA and GGA+U", J. Chem. Phys., 131, 2009 , 124703, Source
David O. Scanlon, Benjamin J. Morgan, Graeme W. Watson, Aron Walsh, " Acceptor Levels inp-TypeCu2O: Rationalizing Theory and Experiment", Phys. Rev. Lett., 103, 2009 , , Source
David O. Scanlon, Aron Walsh, Graeme W. Watson, " Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis", Chemistry of Materials, 21, 2009 , 4568--4576, Source
David A. Fitzpatrick, " Lines of Evidence for Horizontal Gene Transfer of a Phenazine Producing Operon into Multiple Bacterial Species", Journal of Molecular Evolution, 68, 2009 , 171--185, Source
C. Torney, Z. Neufeld, I. D. Couzin, " Context-dependent interaction leads to emergent search behavior in social aggregates", Proceedings of the National Academy of Sciences, 106, 2009 , 22055--22060, Source
C. Toher, I. Rungger, S. Sanvito, " Simulating STM transport in alkanes from first principles", Phys. Rev. B, 79, 2009 , , Source
Chiara McDonagh, Patrick OLeary, " Electrostatically immobilised BOX and PYBOX metal catalysts: application to ene reactions", Tetrahedron Letters, 50, 2009 , 979--982, Source
C. D. Pemmaraju, I. Rungger, S. Sanvito, " Ab initiocalculation of the bias-dependent transport properties ofMn12molecules", Phys. Rev. B, 80, 2009 , , Source
Benjamin J. Morgan, Graeme W. Watson, " Polaronic trapping of electrons and holes by native defects in anataseTiO2", Phys. Rev. B, 80, 2009 , , Source
Benjamin J. Morgan, David O. Scanlon, Graeme W. Watson, " The Use of the "+U" Correction in Describing Defect States at Metal Oxide Surfaces: Oxygen Vacancies on CeO2 and TiO2, and Li-doping of MgI", e-Journal of Surface Science and Nanotechnology, 7, 2009 , 389--394, Source
Benjamin J. Morgan, David O. Scanlon, Graeme W. Watson, " Small polarons in Nb- and Ta-doped rutile and anatase TiO2", Journal of Materials Chemistry, 19, 2009 , 5175, Source
A.T. Paxton, T.N. Todorov, A.M. Elena, " Ring currents in azulene", Chem. Phys. Lett., 483, 2009 , 154--158, Source
Aoife C. Jones, Mohsen Shadmehri, Turlough P. Downes, " Multifluid Simulations of the Kelvin-Helmholtz Instability in a Weakly Ionised Plasma", Protostellar Jets in Context, book, 2009 , 547--549, Source
Aitor Moreno, Paul S. Pregosin, Gabor Laurenczy, Andrew D. Phillips, Paul J. Dyson, " Influence of Ion Pairing on Styrene Hydrogenation Using a Cationic e6-Arene b-Diketiminato-Ruthenium Complex", Organometallics, 28, 2009 , 6432--6441, Source
A. Droghetti, S. Sanvito, " Electron doping and magnetic moment formation in N- and C-doped MgO", Applied Physics Letters, 94, 2009 , 252505, Source
A. Droghetti, N. Baadji, S. Sanvito, " MgN: A possible material for spintronic applications", Phys. Rev. B, 80, 2009 , , Source