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Expired Research Projects

Expired Project Breakdown

The following graph shows the number of expired projects (Full National Service and National Capability Service) per scientific field and per application class (to see the list of projects which are active, please go to this page):

Chemistry (173) 6 class A Chemistry projects 6
71 class B Chemistry projects 71
96 class C Chemistry projects 96
Class A project colour Class A (27)
Class B project colour Class B (232)
Class C project colour Class C (695)
Computer science (58) 0 class A Computer science projects 0
6 class B Computer science projects 6
52 class C Computer science projects 52
Earth sciences (50) 3 class A Earth sciences projects 3
13 class B Earth sciences projects 13
34 class C Earth sciences projects 34
Engineering (164) 2 class A Engineering projects 2
30 class B Engineering projects 30
132 class C Engineering projects 132
Life sciences (206) 0 class A Life sciences projects 0
40 class B Life sciences projects 40
166 class C Life sciences projects 166
Physics (225) 10 class A Physics projects 10
55 class B Physics projects 55
160 class C Physics projects 160
Others (76) 6 class A Other projects 6
17 class B Other projects 17
53 class C Other projects 53
Expired research projects per application class & scientific field

Class A Projects

There are currently 27 expired Class A projects:

Code PI Title
dcast001a Dr. Turlough Downes Turbulence in molecular clouds: beyond magnetic flux freezing
dsast008a Dr. Gareth Murphy Particle acceleration and magnetic field amplification in near and mildly relativistic shocks
ndche010a Dr. Simone Meloni Deprotonation of Weak Acids in Water by Temperature Accelerated (hybrid) Monte Carlo
ndear010a Prof. Peter Lynch Regional Climate Ensemble Simulations for Ireland the impact of climate change on coastal and river flooding.
ndear011a Dr. Tido Semmler Simulating the Global Climate with the EC-EARTH Coupled Atmosphere-Ocean-Ice Model
ndeng003a Dr. Marcus Greferath Performance Analaysis of Low-Density Parity-Check Codes Derived from Finite Inversive Spaces
ndmat007a Dr. Konstantinos Drakakis The enumeration of Costas arrays of order 29
ndmat008a Prof. Gary McGuire A New Algorithm for Enumerating Hitting Sets
ndmat018a Prof. Gary McGuire Setting a World Record for Discrete Logarithm Based Cryptography
ndmat019a Prof. Frederic Dias High-end computational modelling for wave energy
ndphy010a Dr. Niall English Effects of electric and electromagnetic fields on nanoparticle-protein systems
ndphy020a Dr. Grazia Cottone Large Scale Conformational Transitions In Ligand Gated Ion Channels
ndphy022a Dr. Simone Meloni Deprotonation of organic molecules in solution: study of the reaction mechanism and rate by modern techniques for simulating rare events in combination with ab-initio molecular dynamics.
ndphy037a Dr. Niall English Massively-parallel molecular simulation studies of nano-scale crystal formation
ndphy038a Prof. David Coker Excitation Energy Transfer in Light Harvesting Nano-Structures: Quantum Coherent Dynamics and Correlated Environment Fluctuations
ndphy056a Dr. Niall English Highly-parallel ab initio molecular simulation and dynamics studies of metal oxide-water interfaces
nmear004a Dr. Rowan Fealy Next Generation, High Resolution, DEcadal and Long-Term Climate Simulations for IrelAnd (DELTA)
nmphy002a Dr. Jiri Vala Topological phases in quantum lattice systems
tcche028a Prof. Graeme Watson Defects and doping limits in SnO2
tcphy003a Prof. Stefano Sanvito Transport properties of organic macromolecules: modeling at the boundaries between biology and nano-electronics
tcphy004a Prof. Stefano Sanvito Theory of ferromagnetism in diluted and defective oxides
tcphy017a Dr. Mike Peardon Lattice Quantum Chromodynamics
tiche011a Dr. Damien Thompson Faster, bigger, better: supra-nanoscale molecular dynamics for nanoelectronics
tiche018a Dr. Michael Nolan EMOIN: Engineering Metal Oxide Interfaces
tiche020a Dr. Simon Elliott Simulating the growth of ultrathin materials for nanoelectronic devices (SIGMUND)
tiche041a Dr. Simon Elliott Simulating material transformations across multiple scales (SIMTRAMS)
uleng021a Prof. Michael McCarthy Multi-functional Graphene/Carbon Nanotube Nanocomposites

Class B Projects

There are currently 232 expired Class B projects:

Code PI Title
dcast002b Dr. Turlough Downes Turbulence in molecular clouds: beyond magnetic flux freezing
dcast003b Dr. Stephen O'Sullivan Second-Order Fermi Acceleration in AGN Radio Lobes
dcast004b Dr. Turlough Downes Magnetic field amplification in supernova blastwaves
dcast005b Dr. Turlough Downes MF-DISK: Protoplanetary disk dynamics: the multifluid magneto-rotational instability, gaps and jets
dcche005b Dr. John Gallagher Structural systematics of n x m isomer grids: comparison of structural data (from diffraction) with ab initio calculations
dccom006b Prof. Heather Ruskin Large-scale multi-agent simulations of the immune response to HIV infection
dccom007b Dr. Michael Scott Finding Cryptographic Pairing-friendly elliptic curves
dccom008b Dr. Mary Hearne Data-Oriented Models of Parsing and Translation
dccom019b Dr. Patrik Lambert Optimising Hybrid Machine Translation
dccom025b Dr. Michael Scott Breaking ECC2K-130
dclif015b Dr. Mary O'Connell Sequencing and comparative genomic analyses of the Cetacean clade
dclif018b Dr. Mary O'Connell Evolution of tissue-specific genes and their regulatory elements.
dclif022b Dr. Mary O'Connell Immunoinformatics: Deciphering the Evolution of the Mammalian Innate Immune Network using Comparative- and Paleo- Genomics
dclif023b Dr. Mary O'Connell Mammalian Phylogeny and Evolution: Heterogeneous Modeling Approach
dclif024b Dr. Mary O'Connell Resolving the Intra-order placement of the Laurasiatheria
dclif027b Dr. Mary O'Connell Genomic rearrangements as a mechanism of novel gene genesis in amniotes
dclif030b Dr. Mary O'Connell Comparative genomic analysis of protein coding elements in terrestrial and marine mammals
dclif033b Dr. Mary O'Connell Placing the root of the placental mammals
dsast002b Dr. Andrew Lim Numerical Studies of the Evolution of Structures in H II Regions.
dsast005b Dr. Gareth Murphy 3D PIC simulations of near and mildly relativistic shocks
dsast009b Prof. Luke Drury HPC methods for particle acceleration at relativistic shocks
dsast010b Dr. Andrew Taylor Jet Acceleration
dsear002b Dr. Estelle Roux Joint inversion of magnetotelluric and surface wave measurements: application to a real dataset from Northern Canada
dtast003b Dr. Stephen O'Sullivan Radiation reaction in shear acceleration.
icear004b Dr. Paul Nolan Climate Projections for Ireland – a Multi-Model Ensemble Approach.
meeng001b Dr. Emily Gleeson Identify the past, present and future wave climate for the North Atlantic
ndast003b Prof. Peter Duffy Relativistic shock acceleration in a fully turbulent magnetic field
ndast005b Dr. Barry Wardell Self-consistent orbital evolution of particles around black holes
ndche002b Dr. Niall English Effects of Electromagnetic Fields on Proteins
ndche005b Dr. Run Long Band-gap Engineering of TiO2 from first-principles calculations
ndear002b Dr. Steffen Abe Parallel 3D DEM simulation of dynamic rupture of a rough earthquake fault
ndear003b Dr. David Fitzpatrick A Fungal Phylogeny Based on 42 Complete Genomes Derived From Supertree and Combined Gene Analysis.
ndear006b Prof. Peter Lynch Simulating Climate Change in Ireland: Implications for Wind Energy.
ndear007b Prof. Peter Lynch HiWinds: High resolution forecasts for wind energy applications
ndear008b Dr. Gareth O'Brien Seismic source modelling and propagation in complex 3D Earth models
ndear009b Dr. Rodrigo Caballero Present and future statistics of extreme European storms
ndear013b Dr. Gareth O'Brien Computational seismic wave propagation in complex 3D Earth models
ndear015b Prof. Peter Lynch ZEPHYR: Dynamical and statistical down-scaling of ensemble forecasts for wind energy applications in Ireland.
ndeng002b Dr. Marco Grimaldi Evaluation of novel features
ndeng004b Dr. Marcus Greferath Performance Analaysis of Low-Density Parity-Check Codes Derived from Finite Inversive Spaces
ndeng007b Dr. Pratibha Dev Interaction of Titania with water using ab initio molecular dynamics and spectral absorption studies using Many Body Perturbation Theory (MBPT)
ndeng008b Prof. Frederic Dias WECSIM
ndeng009b Dr. Pratibha Dev Simulation of photo-electronic excitation in Titania-Dye Complexes
ndeng011b Dr. David Browne Numerical modelling of fluid flow and interface evolution in the process of welding with smoothed particle hydrodynamics and parallel computation
ndeng014b Dr. Jonathan Byrne Evolving Parametric Aircraft Models for Design Exploration and Optimisation
ndlif006b Prof. Paul McKeigue Statistical methods for admixture mapping and modelling extended haplotypes
ndlif007b Dr. Dominic Zerulla Simulations of Macromolecule-Nanoparticle Interactions
ndlif008b Dr. Kate Johnston A search for novel amino acid motifs in protein-protein interactions required for pathogenesis.
ndlif010b Dr. David Fitzpatrick Searching for Evidence of Interkingdom Horizontal Gene Transfer between Bacteria and CTG species
ndlif012b Prof. Denis Shields Functional variation in evolution and in populations.
ndlif020b Prof. Denis Shields Functional variation in evolution and in populations.
ndmat009b Prof. Gary McGuire A New Algorithm for Enumerating Hitting Sets
ndmat010b Prof. Gary McGuire A New Algorithm for Enumerating Hitting Sets
ndmat024b Dr. Lennon O'Naraigh Towards a complete theoretical and numerical description of three-dimensionality in phase separation
ndphy001b Dr. Ronan McNulty Starting to Simulate the High Energy Frontie
ndphy004b Dr. Zoltan Neufeld Aggregation and collective motion of microorganisms in fluid flows
ndphy011b Dr. Niall English Computational Modelling of Materials for Artificial Photosynthesis
ndphy019b Dr. Niall English Simulation of photo-electronic excitation in titania nanofilms
ndphy032b Dr. Niall English Simulation of electronic structure and photovoltaic properties of metal oxides using hybrid density functional theory
ndphy035b Dr. Niall English High-level DFT-based rational design of photovoltaic materials with tailored optoelectronic properties
ndphy036b Dr. Niall English Ab initio studies of photo-electronic excitation in Dye-Sensitised Solar Cells
ndphy040b Dr. Nicolae-Viorel Buchete Comparative Study of Structure and Dynamics of Amyloid Fibrils and Oligomers
ndphy044b Dr. Niall English Electric and electromagnetic field effects on nanomaterial-protein systems
ndphy049b Dr. Run Long Electronic structure and photocatalyitc properties of metal oxides from hybrid density functional theory calculations
ndphy051b Dr. Antonio Benedetto Molecular dynamics simulations of lipid bilayer stacks in water solutions of room temperature ionic liquids
ndphy052b Dr. Run Long Excited-State Dynamics on Novel Light Harvesting Materials to Aid Design of Efficient Dye-Sensitized Solar cells
ndphy059b Dr. Goar Sanchez Molecular Modeling of Kinase Activation Mechanisms in the Tumor-Suppressive Hippo Pathway via Protein-protein Interactions
ngche003b Prof. John Simmie Towards a World Class Combustion Chemistry Centre
ngche005b Prof. John Simmie BurnQuest: Towards a World Class Combustion Chemistry Centre
ngche014b Prof. Leif A. Eriksson Computational Studies of Enzymes Involved in Porphyrin Biosynthesis.
ngche015b Prof. Leif A. Eriksson Structure, Mechanism and Interaction of UV-Photoreceptors in Green Plants.
ngche017b Dr. Henry Curran Computational Quantum Chemistry and Kinetics of the Interaction of OH and HO2 Radicals with Biofuels
ngcom001b Dr. Michael Madden Kernel Methods for Machine Learning with Application to the Analysis of Raman Spectra
ngear001b Dr. Marcel Cure Hydrodynamic Model of Irish Shelf Waters using ROMS
ngear003b Dr. Michael Hartnett Coupled Ocean-atmosphere Climate Modelling
ngear004b Ms. Liz Coleman Investigation into the interaction between a changing climate and air quality
ngeng002b Prof. Peter McHugh 3D Modelling of the mechanical behaviour of Cardiovascular Stents
ngeng007b Dr. Patrick McGarry Modelling the active evolution of focal adhesions and stress fibres in cells as a result of mechanical stimuli
ngeng011b Prof. Peter McHugh Development of Discrete Finite Element Cell Model
ngeng012b Dr. Noel Harrison A FINITE ELEMENT ANALYSIS OF THE MICROSCALE FORCES THAT DRIVE CELL-DERIVED TISSUE FORMATION: A TISSUE ENGINEERING SOLUTION
ngeng024b Dr. Patrick McGarry ANALYSIS AND DESIGN OF ORTHOPAEDIC FRACTURE FIXATION AND JOINT REPLACEMENT DEVICES
ngeng036b Prof. Peter McHugh Coronary Stent Analysis and Design using the Finite Element Method
ngeng043b Dr. Nathan Quinlan Highly parallel, steerable CFD using a Finite-Volume Particle Method
ngeng048b Dr. Riona Ni Ghriallais Investigating the Deformation Characteristics of Stented Femoropopliteal Arteries
ngeng054b Dr. Nicola Kelly Endobronchial and Coronary Stent Design and Analysis using the Finite Element Method
nglif002b Dr. Denis O'Mahoney Large scale high resolution study of the trabecular bone in vertebral bodies.
nglif004b Prof. Peter McHugh High Resolution Modelling of Bone Loss in Vertebral Trabecular Bone
nglif015b Dr. Gerhard Schlosser Identification of Six1 and Eya1 target genes in Xenopus laevis using RNA-Seq
nglif016b Prof. Cathal Seoighe Sequencing, Assembly and Analysis of the Hydractinia Genome
nglif018b Dr. Charles Spillane Identification of orphans in sequenced plant species
nglif021b Dr. Noel Harrison Orthopaedic Implant Design and Computational Simulation
ngmat003b Dr. Alexander D Rahm Computing level one cuspidal Bianchi modular forms
ngphy003b Dr. Dmitriy Ivanov Computational and Experimental Investigation of Sub-Wave Nano-Structuring on Metals with Femto- and Attosecond Laser Sources
ngphy007b Dr. Damien Martin (INFORM) Integrated volcanic ash forecasting system
nmche002b Dr. Elisa Fadda Conformational dynamics and binding affinity of the F75W XPA69-80 mutant in solution and in complex with its target biomarker ERCC1.
nmlif004b Dr. James McInerney The Tree of one hundred percent
nmlif017b Dr. Davide Pisani Inferring the eukaryotic tree of life using single and multi gene families
nmlif020b Dr. Davide Pisani Rerooting the eutherian tree of life
nmlif021b Dr. James McInerney Duplication patterns and network centralities in the primate phylogeny
nmlif028b Dr. Gemma Kinsella The GPR21 receptor as an innovative pharmacological target for type 2 diabetes
nmlif029b Dr. Gemma Kinsella Evolution of the Pellino signaling protein
nmlif032b Dr. Elisa Fadda Role of a differential conformational selection mechanism in the molecular recognition of the p53 negative regulatory domain (nReg)
nmlif033b Dr. James McInerney Analysis of gene fission and fusion events in the fungal kingdom
nmphy003b Dr. Jonivar Skullerud Hot QCD simulations on anisotropic lattices
nmphy006b Dr. Jonivar Skullerud Pushing the strong interaction past its breaking point with highly anisotropic lattices
nmphy008b Dr. Niall Moran Topological order of fractional quantum Hall systems on toroidal geometries
tcche003b Prof. Graeme Watson Electronic Structure Studies of Transparent Semiconductors
tcche004b Dr. Natasha Galea QM/MM Study of Isolated Surface Defects on Ceria
tcche005b Prof. Graeme Watson DeNOx catalysis on Ceria Surfaces
tcche006b Dr. Benjamin Morgan Electronic structure studies of the defect chemistry of TiO2
tcche007b Prof. Graeme Watson Optimisation of Ionic Conductivity in Intermediate Temperature Solid Oxide Fuel Cells
tcche008b Dr. Jeremy Allen Defect Properties of Tin Monoxide
tcche009b Prof. Graeme Watson Optimizing the Oxygen Storage Capacity of Ce1-xMxO2 (M = Noble Metal)
tcche010b Prof. Graeme Watson The behaviour of hydrogen defects in p-type oxides
tcche011b Prof. Graeme Watson Electronic structure calculations of dopants in SnO2
tcche012b Dr. Benjamin Morgan The role of oxygen vacancies in the ferromagnetism of V-doped TiO2
tcche014b Dr. Natasha Galea Modeling Oxidation States of Ce within Cerium Oxide using DFT+U and Hybrid-DFT : Choosing an Appropriate U
tcche015b Dr. Jeremy Allen Oxygen defects in UO2
tcche016b Prof. Graeme Watson Sources of Conductivity in Cadmium Oxide
tcche017b Prof. Graeme Watson Defect chemistry of Lead Dioxide: Metallic or semiconducting?
tcche021b Dr. David Scanlon CuScS2: n-type or p-type?
tcche022b Dr. David Scanlon Understanding conductivity limits in group 13 doped CdTe
tcche026b Dr. Dario Marrocchelli Understanding the Li conduction mechanism in glassy electrolytes for Lithium Ion batteries.
tcche027b Dr. Michael Bridge Comparative Study of deNOx (x = 1, 2) Chemistry on Rh, Pd and Pt {111} surfaces
tcche031b Dr. Dario Marrocchelli Modelling of ceria-zirconia systems for oxygen storage applications.
tcche032b Dr. Jeremy Allen The Defect Chemistry of Ag2O
tcche034b Dr. Dario Marrocchelli Structural and Conducting Properties of doped LaGaO3
tcche035b Prof. Graeme Watson LaCuOSe: Degenerate p-type TCO?
tcche038b Dr. Michael Bridge Investigating the deNOx ability of a stepped Rh {443} surface
tcche042b Prof. Graeme Watson Defect engineering in Cr2O3 to develop a p-type transparent conducting oxide
tcche044b Dr. Jeremy Allen An occupation matrix control methodology for localizing d- and f-electrons with DFT+U
tcche045b Dr. Isabel Rozas Modelling the behaviour of bifunctional organocatalysts: towards a de novo computationally designed catalyst
tcche047b Prof. Graeme Watson Density functional theory study of the pure and reduced surfaces of LaMnO3
tcche049b Prof. Graeme Watson Elucidating the catalytic mechanism of CO oxidation on Pd- and Pt-doped ceria
tceng004b Dr. Craig Meskell Flow-Induced Vibration in Wind Turbines Blades: CFD analysis of vortex shedding.
tclif003b Dr. Gemma Kinsella Investigating the conformational dynamics of the Glucocorticoid Receptor
tclif004b Dr. Gemma Kinsella Investigating ligand interactions with the Estrogen receptor alpha and beta
tclif006b Dr. Gemma Kinsella The Retinol Binding Protein System and Type 2 Diabetes
tclif012b Dr. Giorgio Carta PPARgamma Tiered Virtual Screening- Development of an Improved Post-Hit Scoring Process
tclif015b Prof. Martin Caffrey Investigation of the Mode of Action of an Integral Membrane Kinase. Conformational Stability, Flexibility, and Lipid-Protein Interactions
tclif018b Dr. Daniel Bradley Population Genomics of Ancient DNA Using Next-Generation Sequencing Data
tcphy001b Prof. Stefano Sanvito Transport Properties of nanoscale devices: A proposal to the Irish Centre for High End Computing
tcphy005b Prof. Stefano Sanvito Simulating Electronic Transport in Scanning Tunneling Microscopy
tcphy007b Dr. Sri Chaitanya Das Pemmaraju Defects and impurities induced magnetism in Oxide Semiconductors and Insulators
tcphy008b Dr. Charles Patterson Spin and charge polarons and their impact on magnetism and charge transport in oxides
tcphy011b Dr. Nadjib Baadji Scanning Tunneling Microscopy for Magnetic Molecules
tcphy012b Dr. Maria Stamenova Ab initio simulations of spin-dynamics
tcphy013b Dr. Claude Ederer Functional properties of multiferroic heterostructures
tcphy015b Dr. Thomas Archer Multiferroic tunneling junctions
tcphy016b Dr. Ivan Rungger Development of a large scale ab initio electron transport simulation program
tcphy018b Dr. Mike Peardon Lattice Quantum Chromodynamics
tcphy021b Dr. Charles Patterson Spectroscopies of functional oxides by computer simulation
tcphy022b Dr. Thomas Archer Magnetoelectric effect in tunneling junctions: a route to room temperature multiferroic devices.
tcphy024b Prof. Stefano Sanvito Quantum Monte Carlo calculations for spin-crossover molecules
tcphy028b Dr. Stefan Sint Scale evolution of the strong coupling constant in four flavour QCD
tcphy036b Dr. Thomas Archer Tetragonally Distorted Heuslers
tcphy038b Dr. Carlo Motta Charge transport in organic crystals with Wannier functions
tcphy039b Dr. Charles Patterson Optical Spectroscopy of Semiconductor and Oxide Surfaces
tcphy043b Dr. Maria Stamenova Time-dependent density functional theory (TDDFT) simulations of laser-induced ultra-fast magnetisation dynamics in transition metals
tcphy047b Dr. Charles Patterson Spectroscopic identification of defects at silicon silica and silicon hafnia interfaces
tcphy049b Dr. Ivan Rungger First principles calculations of light induced conductivity changes
tcphy065b Dr. Charles Patterson Impact of silicon surface oxidation on transistor performance
tglif003b Dr. Chris Creevey Metagenomic analysis of the ruminal microbial populations in cattle divergent for nutritional efficiency
tglif011b Dr. Donagh Berry Regional heritability mapping of the bovine genome
tiche001b Dr. Simon Elliott Electronic structure of dielectric materials
tiche002b Dr. Damien Thompson Simulation of molecular printboards for nanopatterning
tiche003b Dr. Damien Thompson Simulating the Behaviour of Organic Macromolecules at the Liquid-Liquid Interface
tiche004b Dr. Michael Nolan Controlling Catalysis on TiO2 Surfaces: an Ab Initio Approach
tiche005b Dr. Michael Nolan First principles materials design of transparent conducting oxides
tiche006b Dr. Michael Nolan Metal Oxide Surfaces and Interfaces: at the Frontier of First Principles Simulations
tiche007b Dr. Damien Thompson Computer simulations of nanopatterning systems
tiche008b Dr. Andreas Larsson Doped fullerenes and peapod nanotubes - a first-principles investigation
tiche009b Dr. Simon Elliott Growth of rare earth metal oxides as high-k dielectrics
tiche010b Dr. Michael Nolan First Principles Simulations of Shape Memory Alloys Based on NiTi
tiche012b Dr. Damien Thompson Faster, bigger, better: supra-nanoscale molecular dynamics for nanoelectronics
tiche013b Dr. Damien Thompson Atom-scale structure, dynamics and energetics of alkanethiol bilayers as nanostructure-directing agents
tiche015b Dr. Michael Nolan Oxidation of Ternary Shape Memory Alloys Based on NiTi using First Principles Simulation
tiche017b Dr. Damien Thompson The interaction of room temperature ionic liquids with phospholipid bilayers: a computational investigation
tiche021b Dr. Michael Nolan Supported Metal Oxide Clusters as Reactive Catalytic Centres
tiche023b Dr. Michael Nolan Surface Reactions at Metal Oxides from Hybrid Density Functional Theory
tiche026b Dr. Michael Nolan Hybrid Density Functional Theory Investigations of Band Gap Modulation in Semiconductor Nanowires
tiche028b Dr. Jim Greer Ab initio study of CNT-metal contact characteristics
tiche030b Dr. Damien Thompson Computer-aided design of controllable interfaces for nanoelectronics
tiche032b Dr. Michael Nolan Porphyrin-TiO2 Assemblies for Dye Sensitized Solar Cells
tiche038b Dr. Simon Elliott Simulating material transformations across multiple scales (SIMTRAMS)
tiche039b Dr. Damien Thompson Computer-aided design of redox active monolayers for nanoelectronics
tiche040b Dr. Simon Elliott Simulating growth of high-k dielectric on III-V semiconductor substrate
tiche043b Dr. Damien Thompson Modelling polymer stretching in biological environments
tiche047b Dr. Michael Nolan Control of Metal Particle Morphology on Barrier Layers for Advanced Electronic Interconnect
tiche049b Dr. Simon Elliott Understanding the sensing mechanism of explosives with novel receptors
tiche051b Dr. Michael Nolan CO2 Activation on Metal Oxide Modified TiO2
tiche053b Dr. John Carey Developing alternative catalysts for methane activation to syngas
tieng001b Dr. Jim Greer First Principles Simulation of Junction-less Carbon Nanotube Field Effect Transistors (CNT-FETs)
tieng004b Dr. Jim Greer Investigation of the nature of defect states in InGaAs using Ab-Initio methods
tieng006b Dr. Lida Ansari First Principle Simulations of Semiconductor and Semimetal Nanowire Transistors
tilif001b Dr. Damien Thompson CODEX: A multi-disciplinary approach to engineer the genetic code
tilif002b Dr. Damien Thompson Design of novel Ellipticine Kit kinase inhibitors
tiphy001b Dr. Geoffrey Stenuit Electronic transport and vibrational properties in dilute GaAs:N
tiphy002b Dr. Giorgos Fagas Electronic Structure and Transport Properties of Molecules and Nanowires
tiphy004b Dr. Sian Joyce First Principles Predictions of Nuclear Magnetic Resonance J-Coupling
tiphy005b Dr. Giorgos Fagas Band Gap Modification in Semiconductor Nanowires
tiphy007b Dr. Jim Greer Atomic scale model interfaces between high-k silicates and germanium
tiphy008b Prof. Stephen Fahy Nanoscale Simulators in Ireland (NSI) Graduate Programme Practicals
tiphy009b Dr. Maria Elena Grillo Charge retention in SONOS non-volatile memory devices: oxide-nitride interfaces and deposition process
tiphy012b Dr. Giorgos Fagas Electronic Properties of Oxidised Silicon Nanowires
tiphy018b Prof. Stephen Fahy First-principles calculation of alloy scattering in GaxIn(1-x)As using QUANTUM ESPRESSO code
tiphy020b Dr. Giorgos Fagas The Amorphous-Crystalline Si Interface and its Influence on Photovoltaic Properties.
tiphy024b Dr. Ivana Savic Manipulating the thermal conductivity of PbTe via strain
ucast003b Dr. Mark Hannam Gravitational-wave astronomy from black-hole collisions
ucche006b Dr. Colm O'Dwyer DFT investigations of MnO2 catalysis for rechargeable in lithium-air batteries
uceng001b Dr. Liam Marnane Analysis of new Low Density Parity Check Codes
uclif002b Dr. Charles Spillane Identification of orphan (ORFan) genes in fully sequenced genomes of higher eukaryotes.
uclif007b Dr. Charles Spillane Identifying Taxon Restricted Genes in Higher Plants and Epigenomics of genome dosage in Arabidopsis thaliana
ucphy002b Dr. Michael Flynn Timing and Amplitude Jitter of Passively Mode-locked Quantum-Dot Semiconductor Diode Lasers
ulche001b Dr. Jacek Zeglinski Surface Structure of Biological Hydroxyapatite from First Principles Simulation
ulche005b Dr. Jacek Zeglinski Crystal Nucleation of Pharmaceutical Compounds : A Molecular Perspective
ulche007b Dr. Marko Ukrainczyk Molecular Interactions of Impurities and Solvents in Crystallization of Pharmaceuticals
ulche008b Dr. Damien Thompson All-atom molecular dynamics simulations of re-engineered type I cohesin domain proteins in the Clostridium thermocellum cellulosome.
uleng003b Prof. Michael McCarthy Mechanical behaviour of interlinked carbon nanotubes for nanocomposites
uleng007b Prof. Noel O'Dowd Microscale study of the deformation and failure behaviour of polycrystals at elevated temperature
uleng011b Dr. Conor Mccarthy Modelling the Mechanical Behaviour of Next-Generation Aircraft Joints using an Explicit Dynamics Approach
uleng015b Prof. Michael McCarthy Fatigue behaviour of metal-composite hybrid bolted joints
uleng018b Dr. Daniel Mulvihill Improving the load carrying capacity of multi-bundle carbon nanotube fibres
uleng020b Prof. Michael McCarthy Finite strain behaviour of carbon nanotube/epoxy nanocomposites under compressive loading
uleng022b Prof. Michael McCarthy Finite Element Modelling of Automated Tape Laying of Thermoplastic Composites
uleng023b Dr. Hamed Yazdani-Nezhad Study of mechanical response of dynamically loaded fibre-reinforced polymer composite aerospace structures
ulmat002b Prof. James Gleeson Modelling spreading on Facebook
ulphy007b Dr. Damien Thompson Switching and assembling molecules on coinage metal surfaces
ulphy013b Dr. Pierre-André Cazade Quantum Calculations of Charge Transport through Molecular Tunnel Junctions
ulphy014b Dr. Damien Thompson Investigating the mechanostability of CBM3 domains and its mutants
ulphy016b Dr. Damien Thompson Studying the potential energy surface of histidine-tagged proteins adsorbing to mixed self-assembled monolayers
appngche034 Dr. David Cheung Adsorption and aggregation of metalloporphyrins at liquid interfaces

Class C Projects

There are currently 695 expired Class C projects:

Code PI Title
cieng002c Mr. Ken O Connell The analysis and development of wave energy converters using computational fluid dynamics.
cieng004c Mr. Ken O Connell Analysis of non-linear wave interactions on a wave energy converter using CFD
cilif001c Ms. Lynda Gunn Selective pressure variation in the rotavirus group
cilif002c Ms. Lynda Gunn Isolation and Molecular Characterization of Bovine Coronavirus in Irish cattle
cslif001c Dr. Jim Kennedy Analysis of effect of adding bone-graft to plate fixation of proximal humeral fractures
cslif002c Dr. Heinrich Huber Cellular Automaton based reaction-diffusion-modeling from single cell imaging time series
cslif003c Identification of brain endophenotypes in temporal lobe epilepsy through the application of quantitative MRI
cslif004c Mr. Robert O'Brien Exploring the role of human genome variation in renal transplantation
cslif005c Dr. Mark McCormack The application of genome wide association to epilepsy genetics and pharmacogenetics
cslif006c Mr. Christopher Whelan Global structural morphology and connectivity in lesional and non-lesional temporal lobe epilepsy: A combined MRI, DTI & genomic analysis
cslif007c Mr. Robert O'Brien Ireland and the 1000 Genomes Project (imputation assessment)
cslif008c Dr. Ana Barat AngioPredict: Predictive Genomic Biomarkers Methods for Combination Bevacizumab (Avastin) Therapy in Metastatic Colorectal Cancer. RCSI Work Package: Multi-Agent Models of Tumour Microenvironment and Integrative Analysis of Whole Genomic Data coming from Different Large-Scale Platforms.
cslif009c Dr. Guiyeom Kang ANGIOPREDICT : Predictive Genomic Biomarkers Methods for Combination Bevacizumab (Avastin) Therapy in Metastatic Colorectal Cancer
cslif010c Dr. Mark McCormack EPIPGX: the pharmacogenetics of epilepsy.
cslif011c Ms. Caragh Stapleton The genetics of renal failure
cslif012c Ms. Amy Cole The genetics of high altitude adaptation
cslif013c Dr. Guiyeom Kang Multiscale modelling of tumour angiogenesis with application of chemo and drugs - Angiopredict
cslif014c Mr. Edmund Gilbert Fine scale genetic population structure in Ireland
cslif017c Dr. Guiyeom Kang Multiscale modelling of miRNA to understand Epileptogenesis
dcche001c Dr. Pavle Mocilac Molecular modelling and ab initio calculations benzamides and pyridinecarboxamides.
dcche002c Dr. Sarah Kebbell Synthesis and DFT calculations of 1,2,3,5-tetrazocines
dcche003c Dr. John Gallagher Molecular modelling and ab initio calculations of (i) Methyl-N-(methylbenzoyl)-N-(2-pyridyl)benzamides and their halo analogues and (ii) pyridinecarboxamides
dcche004c Prof. Conor Long Estimating the potential energy surfaces around pi-coordinated arene ligands in (eta-Arene)Cr(CO)3 complexes
dcche006c Dr. Daniel Hillebrand O' Donovan The rational design of alpha 2 adrenoceptor antagonists as potential antidepressants
dcche007c Prof. Conor Long Using Time-Dependent Density Functional Theory to Model Excited-State Dynamics of Inorganic and Organometallic systems
dcche008c Prof. Conor Long Using Time-Dependent Density Functional Theory to Model Excited-State Dynamics of Inorganic and Organometallic Systems
dccom001c Dr. Nicolas Stroppa Data-driven Machine Translation
dccom002c Prof. Heather Ruskin Large-scale mutli-agent simulations of the immune response to HIV infection.
dccom003c Dr. Djame Seddah Parsing the British National Corpus (100M Words) with Automatically Acquired Deep probabilistic LFG Resources
dccom004c Dr. Mary Hearne Combining Linguistics, Statistics and Examples: Data-Oriented Translation
dccom005c Dr. Michael Scott Finding Cryptographic Pairing-friendly elliptic curves.
dccom009c Dr. Mary Hearne Exploiting Parallel Treebanks to Improve Data-Driven MT
dccom010c Dr. Mary Hearne Large-Scale Statistical Machine Translation
dccom011c Prof. Barry McMullin Evolving Cell Signalling Networks in silico: Role of Network "Closure"
dccom012c Dr. Patrik Lambert Intrinsic and Extrinsic Word Alignment Tuning
dccom013c Dr. Deirdre Hogan TREC-2008 Blog Track - Parsing for Sentiment Analysis
dccom014c Dr. Jinhua Du Large-scale Hybrid Machine Translation Model and Distributed Language Model Training
dccom015c Dr. Jinhua Du Optimising Statistical Machine Translation
dccom016c Dr. Michael Scott Attacking the McEliece cryptosystem.
dccom017c Dr. Patrik Lambert Baseline Discriminative Word Alignment System
dccom018c Dr. Lamia Tounsi Arabic Treebank-Based LFG parsing
dccom020c Dr. Dimitri Perrin Large-scale multi-agent simulations of disease spread in large human populations
dccom021c Prof. Heather Ruskin Multi-Layer Models of Epigenetic Mechanisms
dccom022c Mr. Sergio Penkale Fragment Rescoring for Data-Oriented Translation
dccom023c Dr. Michael Scott ECC2K-130
dccom024c Mr. Rejwanul Haque Semantic Information as Source Context in Phrase-Based SMT
dccom026c Mr. Tsuyoshi Okita Hybrid Machine Translation
dccom027c Dr. Jie Jiang Hierarchical Phrase-Based Machine Translation Augmented with Combinatory Categorial Grammars
dccom028c Ms. Kabita Shakya Content Evaluation and Tool Development for Knowledge Management System: Colon Cancer
dccom029c Ms. Karthika Raghavan Predictive Computational Micromodels for Epigenetic Mechanisms
dccom030c Dr. Jennifer Foster Confident MT: Domain Adaptation of Natural Language Processing for Improving Machine Translation Performance
dccom031c Dr. Ergun Bicici Large Scale Experiments on the Prediction of Machine Translation Performance
dccom032c Mr. David Scott Using distributed systems to expedite the production of classifiers within the domain of video retrieval.
dccom033c Dr. Rami Albatal TRECVID 2014 - Insight participate
dccom034c Mr. Tsuyoshi Okita Semantically, Syntactically, and Pragmatically Deep Learning for Natural Language Processing and Machine Translation
dceng001c Dr. Ergun Bicici Large Scale Experiments on Machine Translation Performance Prediction for High Quality Machine Translation
dceng003c Dr. Ergun Bicici Referential Translation Machines for Performance Prediction and Improved Statistical Machine Translation
dchum001c Dr. Djame Seddah Inducing Wide Coverage LFG Grammar from a very large subset of the English Wikipedia
dclif001c Dr. Mary O'Connell Phylogenetics of mammalian peroxidases
dclif002c Dr. Mary O'Connell Evolution of mammalian reproductive proteins.
dclif003c Dr. Mary O'Connell Resolution of the phylogeny of hydrogenases
dclif004c Dr. Noeleen Loughran Evolution of mammalian reproductive proteins
dclif005c Mr. Thomas Walsh Evolution of Tissue Specific Genes
dclif006c Dr. Colin Clarke Application of machine learning and gene selection methods for whole genome microarray analysis of breast cancer.
dclif007c Dr. Mary O'Connell Evolutionary Analysis of the Fanconi Anemia pathway
dclif008c Dr. Noeleen Loughran The evolution of genomic imprinting
dclif009c Mr. Thomas Walsh The evolution of a placental specific regulatory network.
dclif010c Mr. Mark Lynch Analysis of sequence patterns from surface layer proteins isolated from different strains of C. difficile
dclif011c Mr. Thomas Walsh Selection analysis on key interacting partners of a placental regulatory network
dclif012c Mr. Mark Lynch Analysis of sequence patterns from surface layer proteins isolated from different strains of C. difficile.
dclif013c Ms. Claire Morgan Sequencing and Comparative Genomic Analysis of the Cetacea
dclif014c Dr. Noeleen Loughran Adaptive evolution of mammalian imprinted genes
dclif016c Ms. Claire Morgan Evolution of the Mammalian Innate Immune System
dclif017c Dr. Noeleen Loughran Imprinted Retrogene Evolution
dclif019c Dr. Andrew Edward Webb Immunoinformatics: Deciphering the Evolution of the Mammalian Innate Immune Network using Comparative- and Paleo- Genomics
dclif020c Mammalian Phylogeny and Evolution: Heterogeneous Modeling Approach
dclif021c Ms. Kate Lee Evolution of Lung Tissue in the Animalia
dclif025c Mr. Thomas Walsh MicroRNA target prediction: benchmark and application to placenta-specific microRNAs and genes
dclif026c Ms. Kathryn McRae Identification of Variation in the Sheep Genome Controlling Gastrointestinal Nematode Resistance
dclif028c Mr. Raymond Moran Placing the root of the placental mammals.
dclif029c Ms. Kathryn McRae Identification of Variation in the Sheep Genome Controlling Gastrointestinal Nematode Resistance.
dclif031c Dr. Mary O'Connell Gene birth and death rates in taste receptor families across the mammals and an assessment of their protein functional divergence.
dclif032c Dr. Mary O'Connell Comparative genomic analysis for the identification of Gene Fusion events in rodent genomes.
dclif034c Dr. Colin Clarke Genomic analysis of mammalian cell factories
dclif035c Dr. Edel Hyland Analyzing gene remodeling of histone modification recognition domains within 22 Saccharomycotina genomes using network theory
dclif036c Ms. Ann McCartney Utilising next generation sequencing data to investigate the evolution of human and Great Ape brain
dclif037c Ms. Ann McCartney Investigation of differential gene expression patterns between human and mouse species
dclif039c Dr. Tim Downing The genomics of Escherichia coli ST131 infections
dcphy001c Dr. Lampros Nikolopoulos Time-dependent Schrodinger Equation of Multielectron Systems in an Electromagnetic Field: Parallel implementations of PTDSE code
dcphy002c Mr. Sean Kelly Modelling of Atmospheric Plasma Systems
dcphy003c Dr. Lampros Nikolopoulos GPU_TDSE: Solving the Atomic/Molecular Time-dependent Schrodinger Equation on a Graphics Processing Unit with CUDA/OpenCL platforms
dcphy004c Dr. Lampros Nikolopoulos Porting Atomic/Molecular TDSE GPU code to MPI/OpenMP CPU platform
dcphy005c Mr. Cathal OBroin The effect of stochastically varying carrier-envelope phase on Above Threshold Ionisation
dcphy006c Mr. Sean Kelly Modelling of an atmospheric pressure low temperature plasma reference jet
dkast001c Dr. Sarah Tanner Magnetic Field Regeneration in Accretion and Protoplanetary Discs
dsast001c Dr. Paul Dempsey Particle Acceleration at Relativistic Shocks
dsast003c Dr. Gareth Murphy PIC simulations of near and mildly relativistic shocks
dsast004c Dr. Jose Gracia OpenSESAMe - A tool for automated synthetic observations
dsast006c Dr. Sean Delaney Investigation of Particle Acceleration in Astrophysical Shocks using Parallel Computing Techniques
dsast007c Dr. Maria Chernyakova FERMI Data Analysis
dsast011c Prof. Tom Ray Coupling of the solar atmosphere through small-scale transients
dsast012c Dr. Maria Chernyakova FERMI Data Analysis
dsast014c Ms. Rachael Ainsworth Calibrating LOFAR Observations of Young Stellar Objects
dsast015c Dr. Maria Chernyakova Reconstruction of the past history of the center of our Galaxy through X-Ray reflection spectra simulations.
dsear001c Dr. Estelle Roux Joint Inversion of Magnetotelluric and Surface-wave Data in an Anisotropic Earth
dsear003c Mr. Eric Mandolesi Inversion of 2D magnetotelluric data using image registration constraints
dsear004c Ms. Christina Walter Magnetotelluric imaging of the Taupo Volcanic Zone, New Zealand
dsear005c Mr. Thomas Hoskin Magnetotelluric imaging of the North Perth basin and major controls of geothermal fluid migration.
dsear006c Dr. Jan Vozar IRETHERM 3D integrated modelling to assess Irelands geothermal energy potential
dsear007c Dr. Florian Le Pape 3D modelling of WAXI magnetotelluric data
dsear008c Ms. Duygu Kiyan Three-dimensional magnetotelluric imaging of crustal and uppermost mantle structures of the Atlas Mountains of Morocco
dsear009c Mr. Eric Mandolesi Numerical simulation of electrical response from a two-phase rock
dsear010c Mr. Andrea Licciardi Anisotropic inversions of Receiver Functions in a Bayesian framework.
dsear011c Dr. Joan Campanya i Llovet IRECCSEM: Evaluating Ireland's potential for onshore carbon sequestration and storage using electromagnetics
dsear012c Ms. Xenia Ogaya IRECCSEM: Development of novel electromagnetic acquisition technologies and monitoring tools for characterisation and monitoring of geological storage sites.
dsear013c Mr. Robert Delhaye Magnetotelluric Modelling of Rathlin Basin and Lough Swilly Area
dsear014c Dr. Jan Vozar IRETHERM 3D joint inversion to assess Ireland’s geothermal energy potential
dsear015c Ms. Sarah Blake Audio-magnetotelluric modelling of Irish thermal springs
dsear016c Mr. Matteo Ravenna Surface-wave dispersion curves inversion in a Bayesian framework
dsphy001c Dr. Subrata Bal Simulating Noncommutative Yang Mills Gauge Theory on Fuzzy Manifolds
dsphy002c Dr. Volker Braun A Prelude to Numerical Calabi-Yau Geometry
dtast001c Dr. Stephen O'Sullivan Code development for particle acceleration simulation
dtast002c Dr. Stephen O'Sullivan Radiation reaction in shear acceleration.
dteng001c Mr. Gerard Heapes Massively parallel architectures for particle methods.
dteng002c Mr. David Martin A Numerical Analysis of Balloon-Expandable Coronary Stents
dteng003c Mr. Fergal O'Rourke A Numerical Analysis of Tidal Current Turbines using Computational Fluid Dynamics
dteng004c Mr. Conor Briody Numerical Simulation of Flexible Polyurethane Seating Foam
dteng005c Mr. David Martin A computational fluid dynamics analysis of blood flow in a stented coronary artery
dteng006c Mr. Colm Carey A New Congested Traffic Load Model For Long-Span Bridges
dteng007c Mr. Eoin Murphy Assessment of Helical-Flow-Inducing Stents in the Left Coronary Artery Using Computational Fluid Dynamics (CFD)
dtphy001c Dr. Kevin Berwick Deployment of a cubic lattice protein folding simulation on a HPC system.
eng001c Dr. Darren Whitaker Enhanced Process Monitoring and Control Technology to Accelerate Development of Bioresorbable Polymeric Medical Devices
icast001c Mr. Alastair McKinstry Impact modeling of ocean planets using ZEUS Initial software development and benchmarking
icast002c Dr. Andy Shearer Numerical Simulations of Cataclysmic Variable Systems to create
icast003c Mr. Alastair McKinstry Tidally-driven oceanic circulation of exoplanets
icast004c Dr. Michael Lysaght Enabling PRMAT on Xeon Phi - PRACE 2IP WP8
icche001c Dr. Michael Lysaght Exploiting CP2K application for exascale computing with accelerators using OpenACC/OpenCL and porting Cellular Automata Library to Xeon Phi with OpenMP
iccom001c Mr. Gilles Civario Evaluation and comparison of two OpenACC compilers
iccom002c Dr. Paul Nolan Visualising Large OpenFOAM Models using Paraview.
iccom003c Dr. Michael Lysaght Enabling ParVec on Xeon Phi
iccom004c Dr. Michael Lysaght Enabling ParVec on Xeon Phi
iccom005c Dr. Simon Wong Machine learning using OpenStreetMap, traffic and accidents data
iccom006c Dr. Simon Wong Combinatorial analyses using the Min-Max algorithm
icear002c Dr. Adam Ralph Parallelization of Watershed algorithm in Wavewatch III
icear003c Dr. Simon Wong Interactive Manipulation of Weather Regimes
icphy001c Dr. JC Desplat A study of 3-D binary fluid mixtures under shear
icphy002c Dr. Andy Shearer Simulations of radiation transport using Penelope
icphy003c Dr. Alin Elena Time Dependent Tight Binding+U: Applications to Fluorescent Molecules
icphy004c Dr. Michael Lysaght Algebraic Multi-Grid solver for Lattice QCD on multi-core and Intel MIC architectures
icphy005c Dr. Alin Elena The Ultimate Question of Life, the Universe and Everything
icphy006c Dr. Adam Ralph Real-time plots from DL_POLY
icphy007c Dr. Michael Lysaght Enabling PFARM on Xeon Phi
iocom001c Mr. Joseph Kehoe Heterogeneous Concurrency for Agent Based Model Simulations.
ioeng002c Mr. Andrew Keppel Analysis of viscous body armour systems
iseng001c Mr. Sean Mulligan Numerical and experimental investigation of strong free-surface turbulent vortex flows
iteng001c Dr. Brendan McCormack Finite element modelling of skin wrinkling
iteng002c Mr. Padraig Varley Vibration Analysis of Bone Fracture using Finite Element Analysis and Experimental Modal Analysis
iteng004c Dr. Garret Brady The LinGen project
meear001c Mr. Ray McGrath Hirlam
mephy001c Dr. Emily Gleeson Physics tuning experiments in version 3.0 of the EC-Earth global climate model
ndast001c Mr. Alex Byrne Particle Acceleration In A Turbulent Magnetic Field
ndast002c Mr. Alex Byrne Particle Acceleration In A Turbulent Magnetic Field
ndast004c Dr. Barry Wardell Self-consistent orbital evolution of particles around black holes
ndast006c Dr. Elisa Pueschel Constraining the Extragalactic Background Light with VERITAS
ndche001c Dr. Niall English Effects of Electromagnetic Fields on Proteins
ndche003c Dr. Andrew Phillips In silico evaluation of NacNac transition metal catalyst precursors
ndche004c Dr. Niall English Simulation of photo-electronic excitation in dye-titania complexes
ndche006c Dr. Niall English Ab initio studies of photo-electronic excitation in Dye-Sensitized Solar Cells
ndche007c Dr. Andrew Phillips Selective and Adaptable Ruthenium based Pharmaceuticals for Initiating Apoptosis SARPIA
ndche008c Dr. Simone Meloni TDDFT spectroscopic characterization of the 5-benzyluracil and its photoproduct
ndche009c Dr. Durba Roy Multiscale Quantum-Classical Study of Energy Transfer in Photosystem II
ndche012c Dr. Andrew Phillips DFT study on the hydrolysis of ammonia borane by water soluble ruthenium catalysts for hydrogen storage.
ndche014c Dr. Andrew Phillips Analysis of noble metal based β-diketiminate complexes with respect to the addition of dihydrogen
ndcom001c Ms. Janaki Velmurugan Developing genome based resources for perennial ryegrass
ndcom002c Dr. Jonathan Byrne Evolving Parametric Aircraft Models for Design Exploration and Optimisation.
ndcom003c Dr. Anthony Ventresque Performance Testing of Large Scale Distributed Systems
ndcom004c Dr. Anthony Ventresque Classification of Neolithic Petroglyphs Using a Deep Learning Approach
ndear001c Dr. David Fitzpatrick Comparative genomics of pathogenic Candida species and a supertree analysis of 43 fungal genomes
ndear004c Prof. Peter Lynch COSMO-WINDS
ndear005c Dr. Rodrigo Caballero Numerical simulation of extreme European storms
ndear012c Dr. Gareth O'Brien Numerical modelling ground deformation associated with volcanic unrest
ndear014c Prof. Peter Lynch ZEPHYR: Dynamical and statistical down-scaling of ensemble forecasts for wind energy applications in Ireland.
ndear016c Dr. Yingzi Ying Propagation and source localization of microseisms in the North Atlantic Ocean
ndear017c Dr. Yingzi Ying Calculation Cross-correlations of Microseism Noise in a North-East Atlantic 3D Geological Model
ndear018c Mr. Soroosh Jalilvand Development of a novel foundation concept for floating offshore platforms – Phase II: study of the behavior of plate anchor during drag embedment
ndeng001c Dr. Marco Grimaldi Evaluation of novel features in speaker identification
ndeng005c Dr. Philip Cardiff The development of a numerical model of the hip joint
ndeng006c Ms. Julie Motherway The Dynamic Response of Cranial Bone
ndeng010c Dr. David Browne Numerical modelling of fluid flow and interface evolution in the process of welding with smoothed particle hydrodynamics and parallel computation
ndeng012c Ms. Aisling Ni Annaidh The mechanics of stabbing: a combined experimental and numerical study of sharp force injury
ndeng013c Dr. Ashkan Rafiee Flow field investigation of surge wave energy converters
ndeng015c Mr. Cian Fitzgerald Analysis of Stresses on an Integrated Drill-Deburring Tool
ndeng016c Ms. Sogol Fallah CPT Based Prediction of Bearing Capacity of the Spudcan for Multi-layered Clay
ndeng017c Ms. Sogol Fallah CPT Based Prediction of Bearing Capacity of the Spudcan for Multi-layered Clay
ndeng018c Dr. Philip Cardiff Finite Volume and Finite Element Analysis of Composite Adhesive Joints
ndeng019c Mr. Soroosh Jalilvand Development of a novel foundation concept for floating offshore platforms - Phase I: study of the effect of shape on anchor capacity
ndeng020c Mr. Mark Conroy Experimental and Numerical analysis of Mixed Mode Fracture
ndeng021c Mr. Declan McNamara Development of Next Generation Polycrystalline Diamond
ndeng022c Mr. Darragh Tobin Numerical Analysis of In-vivo Swellable Microneedle Devices
ndeng023c Mrs. Fatemeh Kavousi The effect of hydrodynamics on oxygen transfer in submerged dense membrane bundles
ndeng024c Ms. Karen Fitzgerald Overcoming Post-Operative Hip Instability: A Numerical Model Approach.
ndeng025c Ms. Laxmi Muralidharan Numerical Model of the Ankle joint
ndeng026c Dr. Philip Donnellan Precision engineering of small scale chemical reactors for the continuous manufacturing of pharmaceuticals
ndeng027c Ms. Sogol Fallah Eulerian finite element analysis of cone penetration in two-layered clay
ndeng028c Dr. Philip Cardiff Numerical Modelling of Steel Wire Rolling and Drawing
ndhum001c Dr. Johan Elkink Estimating Binary Spatial Autoregressive Models in Political Science
ndhum002c Dr. Johan Elkink Estimating Binary Spatial Autoregressive Models for Extreme Value Distributions and Bank Defaults
ndlif001c Dr. Kate Johnston A preliminary search for novel motifs involved in bacterial - pathogen interactions.
ndlif002c Dr. Richard Edwards Large scale prediction of protein-protein interaction motifs in yeast
ndlif003c Prof. Denis Shields High throughput discovery of protein-protein interaction mediating short, linear motifs in mammals
ndlif004c Dr. Ivan Baran Pharmacophore modelling of short peptide motifs and their similarity to drugs.
ndlif005c Dr. Dominic Zerulla Simulations of Macromolecule-Nanoparticle Interactions
ndlif009c Dr. Peadar O'Gaora Biomarker identification from large biological datasets
ndlif011c Dr. Fergal Casey Investigation of peptide docking profiles against peptide binding domains as a indicator of similar bioactivity.
ndlif013c Dr. Michael Bekaert Adaptive evolution of vision in Bats
ndlif014c Prof. Brendan Loftus Genome assembly using short reads from next generation sequencing platform.
ndlif015c Dr. Norman Davey High throughput discovery of short, linear motifs
ndlif016c Dr. Jennifer Commins UniPrime2: a web service providing easier Universal Primer design
ndlif017c Dr. Marc Birtwistle A first-principles approach to engineering Forster Resonance Energy Transfer probes for measuring biochemical activities in live cells.
ndlif018c Dr. Jens Nielsen Optimization and Profiling of PEAT_SA on a large HPC System
ndlif019c Ms. Catherine Kelly Investigating homology-based molecular models of the Aplysia californica cell adhesion molecule
ndlif021c Prof. Pauline Rudd Molecular modelling of the carbohydrate structures and their complexes with IgG and a number of Fc gamma receptors
ndlif022c Dr. Anthony J. Chubb FightMalaria@Home
ndlif023c Ms. Catherine Kelly Investigation into the structural properties of cell adhesion molecules using steered molecular dynamics
ndlif024c Prof. Emma Teeling Bat wildlife transcriptomics explores the mechanisms of halted ageing in mammals
ndlif025c Mr. Graham Hughes Uncovering the evolution of olfaction in mammals
ndlif026c Ms. Aoife Crowe Peptides Traversing Lipid Membranes
ndlif027c Dr. Niall English Benchmarking of ab initio modelling of proteins active sites
ndlif028c Dr. Donal MacKernan Diabetes mellitus type 2 Advanced Molecular Simulation Investigation of GLp1R receptor and binding properties of selected short peptides
ndlif029c Dr. Kevin O'Brien Protein Backbone Torsional Signaling in Protein Interactions
ndlif031c Dr. Grazia Cottone DETERMINATION OF THE FREE ENERGY DIFFERENCE BETWEEN TWO CONFORMATIONS OF THE TRANS-MEMBRANE N-ACETYLCHOLINE RECEPTOR BETA-SUBUNIT
ndlif032c Dr. Anthony J. Chubb Virtual screening capacity building towards rapid drug discovery.
ndlif033c Dr. Kevin Byrne Assembly of Cunninghamella elegans genome
ndlif034c Discovery of Inhibitors of CIB-1 and Integrin alpha(IIb)beta(3) Interactions.
ndlif035c Dr. Simon Furney Anaysis of RNA-seq data from colorectal cancer patients
ndlif036c Dr. Emmanuel REYNAUD Visualization, Interactive Analysis and Measurement of Light Sheet Microscopy datasets using CAVE and interactive display
ndlif038c Mr. Shourjya Sanyal Measuring Flexibility of Intrinsically Disordered Protein Linkers.
ndlif039c Dr. Simon Furney Anaysis of next generation sequencing data from longitudinal samples of colorectal cancer patients.
ndlif041c Ms. Aoife Crowe Conformational Dynamics of Cyclosporin A and the Impact of N-methylation.
ndlif042c Mr. Shourjya Sanyal Binding Energy of Photo-­switchable Fluorescent Protein Dronpa
ndlif043c Ms. Catherine Kelly Refinement and validation of a proposed structural model for the human olfactory cell adhesion molecule
ndlif044c Mr. Scott Piraino Identification of noncoding driver mutations in pan-cancer datasets
ndlif045c Ms. Aoife Crowe The Effects of N-methylation on the Membrane Permeability of Cyclosporin A
ndlif047c Mr. Shourjya Sanyal Effects of omega-­loop of β-­lactamase in Drug Binding
ndlif048c Mr. Bikramjit Bhattacharjee A molecular-docking based study of interactions and energetically favorable conformations among two of the first immunoglobulin-like (Ig1) domains of the Aplysia californica cell adhesion molecule(apCAM).
ndlif049c Mr. Shourjya Sanyal Measuring Binding Energy of DNA-Protein Interaction
ndlif050c Ms. Sarah-Jane Lennon Analysis of RNA-seq data from Breast Cancer Cell Lines
ndlif051c Ms. Catherine Kelly Modelling and validation of homology-based structures for cell adhesion molecules
ndlif052c Dr. Paul Burns Assessing Ireland's risk to airborne spread of ash dieback disease with Lagrangian stochastic models
ndlif053c Mr. Shourjya Sanyal Measuring Binding Energy of DNA-Protein Interaction_- A Detailed Study on the DNA-LytTR Domain System Using Biased Sampling
ndlif054c Mr. Ajay Pal In silico Cysteinyl Leukotriene Receptor 1 (GPCR) antagonist designing through structural investigation of CysLTR1 from computational perspective.
ndlif055c Dr. Donal MacKernan Search for the equilibrium state of the GPCR protein receptor Glp1R
ndlif056c Analysis of interactions of integrin alpha(IIb)beta(3) with its cytoplasmic binding partners.
ndmat001c Dr. Zoltan Neufeld Aggregation and collective motion of microorganisms in fluid flows
ndmat002c Dr. Zoltan Neufeld Collective search strategies in turbulent flows
ndmat003c Prof. Gary McGuire Minimum Number of Clues Problem
ndmat004c Prof. Frederic Dias Numerical computation of overturning waves
ndmat005c Prof. Frederic Dias VOLNA
ndmat006c Dr. Scott Rickard Enumeration of Costas arrays of order 28
ndmat011c Ms. Cathy Mc Fadden A Preliminary Investigation of Ring-Linear Low-Density Parity-Check Codes
ndmat012c Prof. Gary McGuire Examining the Discrete Logarithm Problem in Cryptography
ndmat013c Dr. Denys Dutykh Numerical simulation of the extreme wave run-up on vertical barriers in coastal areas
ndmat014c Prof. Gary McGuire New Case of the Discrete Logarithm Problem in Cryptography
ndmat015c Prof. Gary McGuire New Case of the Discrete Logarithm Problem in Cryptography
ndmat016c Prof. Gary McGuire Testing the Discrete Logarithm Problem in Cryptography
ndmat017c Prof. Gary McGuire Solving a Discrete Logarithm Problem in Cryptography
ndmat020c Dr. Lennon O'Naraigh Towards a complete theoretical and numerical description of three-dimensionality in phase separation
ndmat021c Dr. Claudio Viotti Large scale numerical simulations of random sea states
ndmat022c Dr. Miguel Bustamante Genesis and Development of Extreme Events in Fluids
ndmat023c Dr. Miguel Bustamante Extreme Events in highly nonlinear regimes: Spatio-temporal structures of pre-shock singularities in 3D Euler fluid equations
ndmat025c Dr. Miguel Bustamante Extreme Events in highly nonlinear regimes: Spatio-temporal structures of pre-shock singularities in 3D Euler fluid equations
ndphy002c Dr. Zoltan Neufeld Aggregation and collective motion of microorganisms in fluid flows
ndphy003c Dr. Nicolae-Viorel Buchete Multiscale Study of Molecular Aggregation Processes
ndphy005c Mr. Ronan Murphy All-atom Simulations of Protein Folding Processes
ndphy006c Mr. Ronan Murphy Multiscale Study of Protein Folding Processes
ndphy007c Mr. Cathal Leahy Study of Conformational Changes in Short Peptides
ndphy008c Ms. Florentina Tofoleanu Structural and energetic properties of Alzheimers A-beta amyloid fibrils
ndphy009c Dr. Nicolae-Viorel Buchete Multiscale Study of Molecular Aggregation Processes
ndphy010c Dr. Alin Elena Deprotonation of organic molecules in solution: study of the reaction mechanism and rate by modern techniques for simulating rare events in combination with ab-initio molecular dynamics
ndphy012c Dr. Simone Meloni Amorphous-Crystal phase transition in Silicon nanoparticles embedded in amorphous SiO2 matrices
ndphy013c Dr. Simone Meloni Optical properties of nc-Si embedded in a-SiO2
ndphy014c Dr. Grazia Cottone Large Scale Conformational Transitions In Ligand Gated Ion Channels Benchmarking
ndphy015c Dr. Donal MacKernan Temperature Accelerated Molecular Dynamics Simulations of Polymer Electrolyte Membrane Fuel Cells
ndphy016c Dr. Simone Meloni Validation of a new method for the acceleration of atomistic simulations: application to the homogeneous nucleation of undercooled Lennard-Jones liquids.
ndphy017c Ms. Florentina Tofoleanu Structural and stability elements of amyloid fibrils near lipid membranes
ndphy018c Prof. David Coker Excitation Energy Transfer in Light Harvesting Nanostructures: Quantum Coherent Dynamics and Correlated Environmental Fluctuations
ndphy021c Dr. Grazia Cottone Kinetics of geminate recombination of nitric oxide in myoglobin mutants in water, under continous photo-illumination, with Non Equilibrium Molecular Dynamics
ndphy023c Ms. Catherine Kelly Validation of homology-based molecular models using all-atom molecular dynamics simulations with explicit solvent
ndphy024c Dr. Simone Meloni Nanoscale thermal transport
ndphy025c Dr. Niall English High-level DFT-based rational design of photovoltaic materials with tailored optoelectronic properties
ndphy026c Mr. Frank McQuillan Molecular Modelling of Fibronectin Domain 1 in Aplysia Cell Adhesion Molecule
ndphy027c Dr. Run Long Unexpected magnetism induced by non-magnetic elements from density functional theory calculations
ndphy028c Dr. Niall English Simulation of electronic structure and photovoltaic properties of metal oxides using hybrid density functional theory
ndphy029c Mr. Jeremy Lucid Probing Selected Morphological models of Hydrated Nafion using Temperature Accelerated Molecular Dynamics Simulations
ndphy030c Ms. Florentina Tofoleanu Polymorphism of Amyloid Fibrils
ndphy031c Mr. Frank McQuillan Predicting Conformational Changes in apCAM Domains
ndphy033c Ms. Catherine Kelly MD refinement of homology models for the immunoglobulin-like domains of apCAM
ndphy034c Dr. Nicolae-Viorel Buchete Conformational and Kinetic Properties of Amyloid-Forming Amylin (IAPP) Peptides
ndphy039c Dr. Daniel O'Brien A Geant4 Monte Carlo Investigation into the Properties of Small Photon Fields for Flattened and Unflattened Radiotherapy Beams
ndphy041c Dr. Niall English Benchmarking of exact exchange for DFT modelling of titania
ndphy042c Dr. Marco Lauricella Study of nucleation mechanism and rate of Methane Hydrate Clathrate.
ndphy043c Mr. Nicolas Genin Exploring biophysical properties of collagen nanofibrils
ndphy045c Ms. Aoife Crowe Polymorphism of Amyloid beta Fibrils
ndphy046c Ms. Irina Antonenko Polymorphism of Amylin fibrils
ndphy047c Dr. Run Long Electronic structure and photocatalyitc properties of metal oxides from hybrid density functional theory calculations
ndphy048c Dr. Antonio Benedetto Molecular dynamics simulations of phospholipid multilayers in a water solution of room temperature ionic liquids
ndphy050c Prof. Hans-Benjamin Braun Physics behind next generation storage technologies
ndphy053c Mr. Shourjya Sanyal An Ab initio Study of Spectral Features of the Enhanced Cyan Fluorescent Protein Chromophore
ndphy054c Dr. Goar Sanchez Energy Transfer in Light-harvesting Biomolecular Complexes
ndphy055c Mr. Bartlomiej Tywoniuk Molecular mechanisms controlling the formation and stability of Alzheimers amyloid beta and tau fibrils and oligomers
ndphy057c Mr. Ye Yuan Conformational Dynamics and Structural Stability of hIAPP Protofilaments : Application to Fibril Design
ndphy058c Mr. Ye Yuan Conformational Dynamics of Human Amylin Mutants and Fibril Design
ndphy060c Mr. Bartlomiej Tywoniuk Conformational Dynamics and Stability of Homo- and Heterodimers of SARAH Domains in Cancer-Related Signaling Pathways
ndphy061c Ms. Catherine Kelly Investigation into the structural properties of cell adhesion molecules using steered molecular dynamics
ndphy062c Mr. Christoph Sadee Simulation of amino acid mutations of beta-Amyloid
ndphy063c Prof. Giovanni Ciccotti Development and testing of PaPIM, a parallel code for approximate quantum time correlation functions
ndphy064c Mr. Bikramjit Bhattacharjee Molecular dynamics-based validation and refinement of homology-based molecular models of the first immunoglobulin-like domain of the Aplysia californica cell adhesion molecule
ndphy065c Mr. Ye Yuan Molecular Dynamics of Radial Breathing Modes of Carbon Nanotubes: Low Length-Width Ratio Study
ndphy066c Dr. Vladimir Lobaskin Modelling of complex flows past nanostructured surfaces
ndphy067c Dr. Hender Lopez Interaction of nanoparticles with lipid bilayers
ndphy069c Prof. Giovanni Ciccotti Extension and optimization of PaPIM, a parallel code for approximate quantum time correlation functions
ndphy070c Mr. Bartlomiej Tywoniuk Modelling selected mutations and it's influence on formation and stability of Alzheimer's amyloid beta.
ndphy071c Dr. Vladimir Lobaskin Modelling the mechanics of endothelial glycocalyx
ngche001c Prof. John Simmie Creation of World Class Combustion Chemistry Centre
ngche002c Dr. Maria Navarro Quantum mechanical computations applied to thermochemistry calculations
ngche004c Dr. Catherine Hayes Investigation into the relationship between sweet taste and binding energies using classes of sweet compounds & 5 homology modelled taste receptors.
ngche006c Dr. Patrick O'Leary Modeling of silica surface interactions with transition metal catalysts
ngche007c Dr. Kieran Somers The Oxidation of Dimethyl Furan under Combustion Conditions: Experiments and Modelling
ngche008c Ms. Aoife Mulvihill The study of butanol under combustion conditions: Combustion and modelling
ngche009c Prof. Leif A. Eriksson INVESTIGATION OF THE EFFECT OF THE CONFORMATION ON THE ELECTRONIC PROPERTIES OF CAROTENOIDS
ngche010c Prof. Leif A. Eriksson Conversion of Monomeric Protein UVR8 to an Obligate Dimer by Computational protein Design
ngche011c Prof. Leif A. Eriksson MD simulations of 5-aminolevulinic acid derivatives in lipid membranes
ngche012c Prof. Leif A. Eriksson Investigation of ERI - ligand interaction by steered molecular dynamics simulations
ngche013c Mr. Jorge Mendes Detailed ab initio calculations of combustion chemistry kinetics of oxygenated biofuels
ngche016c Dr. Kieran Somers Ab initio studies on the combustion reactions of oxygenated biofuels
ngche018c Ms. Hannah Smith Development of Anti-Adhesion Based Influenza Blockers
ngche019c Dr. Anuradha Pallipurath Understanding the stability and transformations of pharmaceutical polymorphs using ab initio lattice dynamics
ngche020c Dr. David Cheung Peptide conformations at liquid interfaces
ngche021c Prof. John Simmie Computational Quantum Chemistry: Thermochemistry
ngche022c Dr. Kieran Somers Quantum Chemical Studies on the Combustion Reactions of Toluene and their Implications for the Modelling of Petrol Combustion
ngche023c Mr. Yang Li Quantum Chemical Studies on the Combustion Reactions on C4H7 and C4H5 potential and their Implications for the Modelling of 1,3-butadiene Oxidation Basic Information
ngche025c Dr. Chongwen Zhou Quantum chemical studies on the important reaction classes involved in combustion chemistry
ngche026c Mr. John Bugler Theoretical Studies of the Thermochemical Properties and Combustion Reactions of Fuels for use in Gas Turbines and Transport Engines
ngche027c Dr. David Cheung Structure of PEGylated proteins from molecular dynamics simulations
ngche029c Dr. Anuradha Pallipurath Thermodynamics of the polymorphism in para-aminobenzoic acid
ngcom002c Ms. Soheila Dehghanzadeh kdd2013 author-paper identification challenge
ngcom003c Dr. Manal Mohammed Bioinformatics Will Revolutionize the Way We Investigate Bacterial Foodborne Outbreaks at NUI Galway
ngear002c Dr. Saji Varghese Impact of aerosols and chemical transport on the climate of Western Europe
ngear005c Dr. Colin Brown Development of software to infer seabed geotechnical conditions from remotely-sensed multibeam marine acoustic data
ngear006c Ms. Liz Coleman Modelling future Air Quality over Europe in a changing climate
ngear007c Ms. Liz Coleman Modelling future Air Quality over Europe in a changing climate
ngeng001c Prof. Peter McHugh Scalability of Size Effects in Small Metallic Cardiovascular Devices
ngeng003c Dr. Nathan Quinlan Computational fluid dynamics simulations of turbulent flow in prosthetic heart valves
ngeng004c Dr. Nathan Quinlan Characterising the fluid dynamics and particle trajectories in anatomically realistic airway bifurcations at multiple breathing frequencies and flow rates
ngeng005c Dr. Patrick McGarry Modeling the evolution of the cellular actin cytoskeleton
ngeng006c Dr. Indiana Olbert PRISM - Predictive Irish Sea Models
ngeng008c Dr. Senan Cahill Finite Element Analysis of the Mechanical Properties of Bone Tissue Engineering Scaffolds fabricated using Rapid Prototyping Techniques
ngeng009c Dr. Noel Harrison A FINITE ELEMENT ANALYSIS OF THE MICROSCALE FORCES THAT DRIVE CELL-DERIVED TISSUE FORMATION: A TISSUE ENGINEERING SOLUTION
ngeng010c Prof. Peter McHugh Development of Discrete Finite Element Cell Model
ngeng013c Dr. Michael Hartnett Development of Coupled Ocean-Atmosphere Climate Model
ngeng014c Dr. Riona Ni Ghriallais Investigation of Vascular Injury in the Superficial Femoral Artery Due to Stenting
ngeng015c Ms. Emer Feerick Development of Advanced Analysis and Testing Methodologies for the Design of a Novel Device for the Fixation of Proximal Humerus Fractures
ngeng016c Dr. Nicola Kelly Computational Analysis of Normal and Postoperative Knee Joint Mechanics
ngeng017c Mr. Cathal Tomas The optimisation of the straightening process for stainless steel wires
ngeng018c Ms. Caroline Hopkins A computational investigation into the delamination of biomedical stent coatings
ngeng019c Mr. Enda Dowling Investigation of the Role of the Cytoskeleton in the Response of Chondrocytes to Mechanical Stimuli
ngeng020c Ms. Claire Conway 3D Finite Element Modelling of Coronary Stent Implantation
ngeng021c Mr. James Grogan Towards the estimation of minimum strut sizes in coronary stents
ngeng022c Mr. Eamonn O'Mairtin A mixed-mode cohesive zone model for cell-substrate interfaces
ngeng023c Ms. Caitriona Killeen Hydrodynamic Modelling of the Interaction of Arrays of Wave Energy Converters
ngeng025c Mr. Neil Duffy Optimisation of Biomass-Fuelled Systems using CFD
ngeng026c Mr. Oliver McCarthy MICROSTRUCTURE SENSITIVE CRACK NUCLEATION IN FRETTING
ngeng027c Dr. Ricardo Santiago Mozos Development of an automatic screening system for Tuberculosis
ngeng028c Dr. Riona Ni Ghriallais Comparison of Computational Modelling Techniques of Self Expanding Stents in the Superficial Femoral Artery to Determine Levels of Vascular Injury
ngeng029c Mr. Teng Zhang Computational modelling of fatigue-wear damage interaction for fretting
ngeng030c Dr. Nathan Quinlan HPC implementation of mesh-free computational fluid dynamics
ngeng031c Dr. William Ronan Simulation of Stress Fibre Remodelling and Mixed-Mode Focal Adhesion Assembly During Cell Spreading and for Cells Adhered to Elastic Substrates
ngeng032c Mr. Eamonn O'Mairtin Cohesive Zone Modelling of Abdominal Aortic Aneurysm Rupture
ngeng033c Ms. Claire Conway Application of a Geometrical Computational Test-Bed to Model Coronary Stent Implantation
ngeng034c Mr. Oliver McCarthy A study of the key microstructural features on fatigue crack nucleation
ngeng035c Ms. Magdalena Hajdukiewicz Formal calibration methodology for CFD models of internal environments.
ngeng037c Ms. Caoimhe Sweeney Microstructural Modelling of Fatigue Crack Nucleation in Stents
ngeng038c Mr. Enda Dowling Investigating the Effect of Focal Defects on the Response of Chondrocytes Embedded in an Extracellular Matrix during Articulation
ngeng039c Mr. Tadhg Farragher A study of thermomechanical failure of power plant components
ngeng040c Dr. Riona Ni Ghriallais Investigating the Effects of Knee Flexion on Stented Peripheral Arteries
ngeng041c Mr. Jack English Nonlinear Seismic Response of Concentrically Braced Frames using a Finite Element Model
ngeng042c Dr. Mihai Basa Highly parallel, steerable CFD using a Finite-Volume Particle Method
ngeng044c Mr. Paul Gunning Computational Analysis of Transcatheter Aortic Herat Valves
ngeng045c Ms. Caoimhe Sweeney Micromechanical Modelling of Fatigue in CoCr Alloy Stents
ngeng046c Dr. Riona Ni Ghriallais Investigating the Deformation Characteristics of Stented Femoropopliteal Arteries
ngeng047c Dr. David Nolan Parameter study to validate and calibrate a new computational material model for bone
ngeng049c Mr. Eoin Larkin Computational modelling of wind farm aerodynamics
ngeng050c Ms. Caoimhe Sweeney Microstructure-Sensitive Modelling of Fatigue with Application to Stents
ngeng051c Dr. Nicola Kelly Endobronchial and Coronary Stent Design and Analysis using the Finite Element Method
ngeng052c Mr. Lei Ren Development of a novel data assimilation procedure for hydrodynamic forecasting in the coastal region
ngeng053c Mr. David Grogan A combined XFEM : cohesive zone model for predicting composite laminate permeability
ngeng055c Mr. Noel Reynolds Simulating the response of cells to applied dynamic loading
ngeng056c Ms. Elizabeth Anne Gallagher Modelling failure of carbon fibre reinforced PEEK on a micro-scale using cohesive zone models
ngeng057c Ms. Heather Doyle Computational and experimental optimisation of ceramic based bone tissue engineering scaffolds
ngeng058c Dr. Nathan Quinlan Computational modelling of flow and blood damage in an implantable blood pump
ngeng059c Dr. Rory Monaghan Prediction and analysis of temperature inhomogeneity in rapid compression machines
ngeng060c Dr. Indiana Olbert The application of innovative marine modelling and observation research to help industry exploit wave energy distraction of West Coast Ireland
ngeng061c Mr. Brian O'Reilly Tissue Characterisation and the Development of an Accurate Constitutive Model for Atherosclerotic Plaque.
ngeng062c Mr. Eoin McEvoy Simulating cardiomyocyte contractility and remodelling in the anisotropic dynamic environment of the myocardium
ngeng064c Ms. Catherine O'Connor Active Response of Smooth Muscle and Arterial Tissue to Stenting
ngeng065c Mrs. Rosa Shine Computational and Experimental Investigation of the Degradation of Poly-L-lactide for the Design of a Biodegradable Polymeric Stent.
ngeng066c Mr. Patrick Ashton Statistical Size Effects in Fretting Crack Initiation
ngeng067c Mr. Reduan Atan Extreme Wave-structure interaction
ngeng068c Dr. Patrick McGarry A thermodynamically consistent model of cell spreading
ngeng070c Ms. Orla McGee Computational and experimental characterisation of Bioprosthetic heart valve positioning to enhance long term performance
ngfin001c Mr. Jason Harold An Empirical Analysis of Household Energy Demand in Ireland
nglif001c Dr. Denis O'Mahoney Parallel Methods for Finite Element Solution of Voxel Generated Meshes of Trabecular Bone: MPI Implementation
nglif003c Dr. Aaron Golden Novel methods for annotating metagenomic assemblies using the Self Organising Map (SOM)
nglif005c Dr. Aaron Golden Characterising co-regulated transcription factors associated with in-vivo CTCF binding genomewide
nglif006c Dr. Aaron Golden Novel Binding Site Motifs associated with Imprinted Genes in Human and Mouse
nglif007c Prof. Leif A. Eriksson Inhibitors of Tip60-androgen receptor dimerization
nglif008c Mr. Boxue Tian Theoretical study on the catalytic mechanism of the Sortase A enzyme
nglif009c Mr. Min Wu Molecular Dynamics Simulation and Structural Analysis of Aurora-A and IPL-1 Kinases and their Mutants
nglif010c Prof. Leif A. Eriksson MD Simulations of Hypericin Containing Micelles
nglif011c Dr. Mark Donoghue Identification of ORFan genes and their evolutionary origins genes in the C4 cereal Sorghum bicolor
nglif012c Dr. Mark Donoghue Determining whether imprinted plant genes may be subject to fast evolution via positive Darwinian selection and/or dosage compensation due to duplication.
nglif013c Prof. Cathal Seoighe Assembly and analysis of hydractinia genomes
nglif014c Dr. Gerhard Schlosser Identification of Six1 and Eya1 target genes in Xenopus laevis using RNA-Seq - a pilot study
nglif017c Dr. Charles Spillane Identification of orphans in sequenced plant species
nglif019c Dr. Manal Mohammed How Bioinformatics can contribute to research in food/ water borne infection and antimicrobial resistance?
nglif020c Dr. Noel Harrison Orthopaedic Implant Design and Computational Simulation
nglif022c Mr. Paul Gunning The Effect of Stent Deployment Asymmetry on the Performance of Transcatheter Aortic Valve Replacement
nglif023c Mr. Liam Doonan Assembly of the Hydractinia Transcriptome
ngmat001c Prof. Ted Hurley Dihedral Codes
ngmat002c Dr. Alexander D Rahm Computing level one cuspidal Bianchi modular forms
ngphy001c Prof. Michael Conneely Calculation and Classification of Multiply Excited States
ngphy002c Dr. Dmitriy Ivanov Computational and Experimental Investigation of Sub-Wave Nano-Structuring on Metals with Femto- and Attosecond Laser Sources
ngphy004c Ms. Liz Coleman Evaluating Tropospheric Ozone Pollution and Climatic Impact in over the North East Atlantic in the 21st Century
ngphy005c Dr. Damien Martin Air Quality Clmate Change Interactions
ngphy006c Ms. Erika Miklos Cleaner Air - A warmer Europe?
ngphy008c Dr. Aditya Vaishya Verification of Sources and Sinks of Irish Greenhouse Gases
ngphy009c Dr. Damien Martin (INFORM) Integrated Volcanic Ash modelling system 2
ngphy010c Ms. Margaret Toohey Monte Carlo modeling of gold nanoparticle enhanced radiotherapy
nmche001c Dr. Elisa Fadda Stability and dynamics of the nucleosome core particles: A molecular level insight into the evolution of chromatin
nmche003c Dr. Elisa Fadda Discovering the molecular recognition mechanism of XPA67-80 peptides by the ERCC1 protein through molecular dynamics simulations
nmche004c Dr. Elisa Fadda Solution structure and conformational disorder of the unbound p53 negative regulatory domain (nReg)
nmche005c Mr. Adam Curtin Development of novel small molecules for human nNOS inhibition
nmcom001c Dr. Victor Lazzarini Parallel Implementation of Csound 5
nmcom002c Dr. Diarmuid O'Donoghue Genetic Repair in Genetic Algorithms
nmcom003c Ms. Leanne Haggerty Evolution of Homology Networks
nmcom004c Dr. Alexei Pozdnoukhov Scalable Spatial Analytics
nmcom005c Dr. Victor Lazzarini Implementation of Parallel Audio DSP programs
nmear001c Dr. Rowan Fealy Dynamical Regional Climate Modelling for Ireland employing the Weather Research Forecasting (WRF) regional climate model
nmear002c Ms. Aoife Doherty Analysing duplication patterns in interacting proteins in primates.
nmear003c Dr. Rowan Fealy Scaling and Development
nmear005c Dr. Rodney Teck Regional Climatic Research using a Representative Carbon Pathways Approach
nmeng001c Dr. Jose Victor Ramos Castro Far-field modelling of wave and tidal stream energy resources
nmlif001c Dr. James Cotton Understanding the Origins of Eukaryotic Genes and Genomes
nmlif002c Dr. James McInerney The Tree of one hundred percent
nmlif003c Dr. Davide Pisani INFERRING THE EUKARYOTIC TREE OF LIFE USING PARTIAL GENOMES
nmlif005c Dr. Davide Pisani INFERRING THE EUKARYOTIC TREE OF LIFE USING PARTIAL GENOMES: METHODOLOGICAL ASPECTS
nmlif006c Dr. James McInerney Evolution of metabolism in Escherichia coli and its relatives
nmlif007c Prof. Ann Burnell Annotation & analysis of the Panagrolaimus superbus genome.
nmlif008c Dr. James McInerney Metabolic Network Evolution in Escherichia coli and relatives
nmlif009c Mr. Brian Daly Genome Assembly of Next-generation Sequencing Data
nmlif010c Ms. Therese Anne Holton Inferring the eukaryotic tree of life
nmlif011c Ms. Aoife Doherty Comparison of gene duplicaton and loss in mammals,with the evolution of their protein-protein interaction, gene regulatory and metabolic networks
nmlif012c Mr. Lahcen Campbell MicroRNAs and the evolution of Arthropoda
nmlif013c Ms. Carla Cummins Reconstructing ancestral metabolism of the YESS group
nmlif014c Ms. Sinead Hamilton Use it or loose it: Sensory adaptation and evolution
nmlif015c Mr. Peter Clarke Metabolic network evolution in Escherichia coli
nmlif016c Dr. Omar Rota Stabelli DATING ARTHROPOD RELATIONSHIPS USING RELAXED CLOCK, SOFT CONSTRAINS AND DIVERSE PHYLOGENOMIC DATASETS
nmlif018c Mr. Roberto Fueda A phylogenomic investigation of GPCRs super family
nmlif019c Ms. Georgina O'Mahony Zamora Transcriptomic and Genomic Analyses of the Nematode Panagrolaimus superbus
nmlif022c Ms. Georgina O'Mahony Zamora Comparison of high-throughput transcriptome assemblies
nmlif023c Dr. James McInerney development of a rapid microbial identification system
nmlif024c Dr. Elisa Fadda Effect of point mutations on the conformational dynamics of the wild type XPA69-80 peptide.
nmlif025c Dr. Gemma Kinsella Discovery of novel ligands for the orphan GPR21
nmlif026c Dr. Gemma Kinsella Evolution of the Pellino signaling protein
nmlif027c Mr. Adam Curtin Expression, inhibition and in silico screening of nitric oxide synthase enzymes.
nmlif030c Mr. Robert Leigh Analysis of gene fission and fusion events in the fungal kingdom
nmphy001c Dr. Jiri Vala Diagonalization of large sparse matrices using a relaxation method
nmphy004c Dr. Jiri Vala Braiding of Non-Abelian Anyons in the Kitaev Honeycomb Model
nmphy005c Dr. Jonivar Skullerud Pushing the strong interaction past its breaking point with highly anisotropic lattices
nmphy007c Dr. Niall Moran Fractional quantum Hall states on toroidal geometries
nmphy009c Dr. Jonivar Skullerud Heavy quark phenomenology in the quark-gluon plasma
tcast001c Dr. Cian Crowley Radiative Transfer in the Atmospheres of Cool Giant Stars
tcast002c Dr. Eamon Scullion High resolution solar image processing.
tcche001c Dr. Justine Taylor A Molecular Dynamics Benchmark Study: Infiniband vs. Gigabit Ethernet Performance
tcche002c Prof. Graeme Watson Electronic Structure Studies of Transparent Semiconductors
tcche013c Dr. Natasha Galea Modeling Oxidation States of Ce within Cerium Oxide using DFT+U and Hybrid-DFT : Choosing an Appropriate U
tcche018c Dr. Giorgio Carta The development of a Document Oriented Database schema to support High Throughput Virtual Screening (HTVS) work-flows
tcche019c Dr. Fernando Blanco Study of Weak Interactions in Protein-Ligand Models using Quantum Mechanical Calculations to Aid the Design of Novel LXRalpha Modulators.
tcche020c Dr. Michael Bridge Investigating deNOx on Rh, Pd and Pt {111} metal surfaces
tcche023c Dr. Dario Marrocchelli Understanding the Li conduction mechanism in glassy electrolytes for Lithium Ion batteries.
tcche024c Dr. Isabel Rozas Cation-pi interactions: complexes of guanidinium and DNA/RNA bases
tcche025c Mr. Brendan Kelly Computational study of pi pi interactions versus cation pi interactions established by different pyridinylguanidinium systems and simple aromatic rings
tcche029c Dr. Dario Marrocchelli Modelling of ceria-zirconia systems for oxygen storage applications.
tcche030c Dr. Isabel Rozas Platinum complexes of guanidinium derivatives
tcche033c Dr. Dario Marrocchelli Structural and Conducting Properties of doped LaGaO3
tcche036c Dr. Michael Bridge Investigating the deNOx ability of the stepped Rh {443} surface
tcche037c Dr. Isabel Rozas Cation pi interactions: complexes of guanidinium and aromatic aminoacids
tcche039c Dr. Isabel Rozas Extension on Cation pi interactions: complexes of guanidinium and aromatic aminoacids
tcche040c Prof. Graeme Watson Optimization and Scaling analysis of VASP on Fionn
tcche041c Dr. Cristina Trujillo Theoretical study between Guanidinium cation and ATP molecule: towards kinase inhibitors
tcche043c Dr. Cristina Trujillo Modelling the behaviour of bifunctional organocatalysts: towards a de novo computationally designed catalyst
tcche046c Dr. Isabel Rozas Selective antagonists of the alpha2C subtype of the adrenergic receptor
tcche048c Prof. Graeme Watson Comparative scaling study of CP2K and VASP applied to α-Bi2O3 interfaces
tccom001c Mr. Alfredo Maldonado Guerra Word discrimination and sense clustering
tccom002c Mr. Hicham Lahlou GPGPU computing. The purpose is to test how parallel applications scale to multi-GPU clusters.
tccom003c Dr. David Gregg Evaluating parallel code generation strategies for Intel Xeon Phi and GPUs
tceng001c Dr. Craig Meskell Investigation of fluid forces responsible for fluid elastic instability in tube arrays.
tceng002c Dr. Kevin O'Kelly Modeling of indentation fracture in polycrystalline, multi-phase ceramics
tceng003c Mr. Alberto Pellegrino Flow-Induced Vibration in Wind Turbines Blades: CFD analysis of vortex shedding.
tceng005c Mr. Sajad Alimohammadi Developing a validated computational fluid dynamics (CFD) methodology for the fluid dynamics and convective heat transfer to unsteady impinging jets
tclif001c Dr. Gemma Kinsella Investigating the role of selective dopamine D1-like receptor signalling.
tclif002c Dr. Gemma Kinsella Development of Antagonist Induced Conformations of the Androgen Receptor
tclif005c Dr. Jeffrey Mower Assembly of mitochondrial genomes from whole genome sequencing projects
tclif007c Mr. Xiaowei Jiang Evolution of bacterial secretion systems
tclif008c Mr. Matthew Teasdale Population Genetics of Modern and Ancient Cattle
tclif009c Ms. Aine Rourke Detection of Remote Homologs between Homo sapiens and Saccharomyces cerevisiae
tclif010c Dr. Mario Ali Fares Whole-genome analysis of co-evolution and functional divergence
tclif011c Dr. David Aragao Structure-function studies of integral membrane proteins and peptides
tclif013c Dr. Valerie Pye Reducing the Time to Structure for Membrane Protein X-ray Crystallography.
tclif014c Dr. Emma Finlay Fast sequential Markov coalescent simulation of bovine genomic data
tclif016c Dr. Eduardo Garcia Molecular Dynamics Simulation of the Farnesoid X Receptor
tclif017c Mr. Rui Martiniano Whole genome imputation of low coverage Next-Generation Sequencing data of ancient DNA.
tclif019c Mr. Nicholas Fennelly Molecular Epidemiology of Norovirus using Next Generation Sequencing
tclif020c Dr. Lutz Vogeley Structure determination of pharmacologically important membrane protein targets using X-ray diffraction data
tclif022c Dr. Karsten Hokamp Whole-genome sequencing of a rare pediatric malignancy, Clear Cell Sarcoma of the Kidney [CCSK] to reveal oncogenic driver mutations.
tcphy002c Dr. Mauro Ferreira Numerical studies of carbon nanotube / polymer composites
tcphy006c Dr. Claude Ederer Exploring new functionalities in complex oxides
tcphy009c Mr. Luiz Pereira Charge transport across disordered carbon nanotube networks
tcphy010c Dr. Claude Ederer Exploring new functionalities in complex oxides
tcphy014c Mr. Stephen Power Magnetic and electronic properties of disordered graphene systems
tcphy019c Mr. Aurab Chakrabarty Ab-initio calculation of electron paramagnetic resonance g-tensor of oxide semiconductors.
tcphy020c Dr. Graham Cross Coating nanomechanics for drug eluting stent implants
tcphy023c Mr. Andrea Droghetti Testing the Casino Quantum Monte Carlo code to study Spin Crossover Molecules
tcphy025c Mr. Awadhesh Narayan Electron phonon effects in Topological Insulators
tcphy026c Mr. Eric Mehes Phonon and Vacancy Calculations on HfO2 as a high-k Dielectric
tcphy027c Dr. Stefan Sint Scale evolution of the strong coupling constant in four flavour QCD
tcphy029c Dr. Mike Peardon Monte Carlo software development on GPGPU systems
tcphy030c Dr. Graham Cross Probing mechanical responses of polymer thin films through flat-punch indentation
tcphy031c Dr. Maria Stamenova Preparation for large-scale time-dependent density functional (TDDFT) simulations of laser-induced ultra-fast magnetisation dynamics in transition metals
tcphy032c Dr. Thomas Archer Tetragonally distorted Heuslers: Code development
tcphy033c Mr. Mario Zic High-Throughput DFT Code development
tcphy034c Dr. Charles Patterson Reflectance Anisotropy Spectroscopy of GaAs(001) surfaces: Comparison of density functional theory (DFT) and experiment
tcphy035c Dr. Charles Patterson Structural Properties of semiconductor-oxide interfaces
tcphy037c Dr. Carlo Motta Testing AIMS and Wannier90 for calculating charge transport in organic crystals
tcphy040c Mr. Akinlolu Akande First principles theory for electron transport in organic materials
tcphy041c Dr. Ivan Rungger Voltage-dependence of energy barriers for defect migration in metal/oxide junctions
tcphy042c Mr. Awadhesh Narayan Magnetic impurities in Topological Insulators
tcphy044c Mr. Amaury Souza Theoretical study of photovoltaic cells
tcphy045c Mr. Subhayan Roychoudhury Theoretical Investigation of Spin Crossover Compounds
tcphy046c Mr. Eric Mehes Ab initio studies on semiconductor-oxide interfaces
tcphy048c Mr. Rajarshi Tiwari Monte Carlo study of electrons coupled to classical fields
tcphy050c Mr. Subhayan Roychoudhury Investigation of level-alignment of benzene molecule adsorbed in various configurations on graphene sheet
tcphy051c Mr. Soumya Banerjee Ab inition calculations on Si(110)-(16 × 2)
tcphy052c Mr. Pankaj Kumar An Optical approach to study defects in metal oxide semiconductors
tcphy053c Dr. Maria Stamenova Laser-induced ultra-fast magnetisation dynamics in transition metal clusters
tcphy054c Mr. Jacopo Simoni Preparation for first principle simulations of laser - induced demagnetisation in GdFeCo ferrimagnets
tcphy055c Dr. Charles Patterson Optical Spectroscopy of the Si(111)-(5x2) and Si(111)-(5x4)Au surfaces
tcphy056c Mr. Gokaran Shukla Filtering of Spin polarize state using ferroelectric coupling in NFO/PZT device using external voltage pulse
tcphy057c Mr. Soumya Banerjee Ab initio calculations on Si(111)-(5x2)/(5x4)-Au
tcphy058c Dr. Thomas Archer Benchmarking computer architecture for high-throughput materials design
tcphy059c Dr. Maria Stamenova Time-domain simulations of ultra-fast laser-induced spin dynamics in ferrimagnetic materials from first principles
tcphy060c Mr. Gokaran Shukla Abintio modelling of ZnO based RRAM Device
tcphy061c Mr. Eric Mehes The impact of an oxidised silicon surface on the transistor performance
tcphy062c Mr. Eric Mehes The impact of Si surface oxidation in Si/HfO2 stacks
tcphy064c Mr. Eric Mehes Bonding strain at the Si-quartz interface
tcphy067c Prof. John Bulava Multi-hadron states in lattice QCD simulations
tglif001c Dr. Orla O'Sullivan Metagenomics for Food and Health
tglif002c Dr. Chris Creevey Metagenomic analysis of the ruminal microbial populations in cattle divergent for nutritional efficiency
tglif004c Mr. Brian Meredith Investigation of the genetic basis of mastitis resistance and bovine milk production traits using gene expression and genome-wide association data
tglif005c Dr. Heather Wiencko Bovine Genetic Variation and Disease Susceptibility
tglif006c Dr. Kenneth Bryan PRIMES: Protein interaction machines in the oncogenic EGFR signalling
tglif007c Dr. Orla O'Sullivan Compositional seqeunce analysis of gut microbiota
tglif008c Mr. Brian Meredith Investigating the Genetic Basis of Mastitis Resistance in Holstein-Friesian Cattle using a High-Density Genotyping Chip
tglif009c Dr. Donagh Berry Regional heritability estimates for reproductive traits in beef cattle
tglif010c Dr. Donagh Berry Regional heritability mapping of the bovine genome
tiche014c Mr. Jakub Baran Theoretical Investigation of Adsorption of Metal-Phthalocyanies (M=Co,Sn,Pb) on Ag(111) surface.
tiche016c Dr. Simon Elliott Interim time for SIGMUND (#4092)
tiche019c Dr. Michael Nolan First Principles Simulations of Gold Nanoparticle Binding Events
tiche022c Dr. Michael Nolan Testing of OpenMX Scaling
tiche024c Ms. Sarah Jones Ab initio molecular dynamics of carbon nanotube growth
tiche025c Dr. Michael Nolan Interim time for SiNAPS
tiche027c Dr. Damien Thompson Quantifying charge balancing in metal-mediated protein self-assembly
tiche029c Dr. Damien Thompson Computer-aided design of controllable interfaces for nanoelectronics
tiche031c Dr. Michael Nolan Testing the Octopus Code for the Prediction of Optical Properties of Materials
tiche033c Dr. Ciaran Murray Accelerated Molecular Dynamics Simulations for the Atomic Layer Deposition of Copper Thin Films
tiche034c Dr. Damien Thompson Atom migration in self-assembled monolayers
tiche035c Dr. Michael Nolan Doping of Metal Oxide Nanostructures: Elucidating Differences to Bulk Doping
tiche036c Dr. Michael Nolan Water Adsorption at Metal Oxide Nanocluster Modified TiO2
tiche037c Mr. Merid Legesse Modelling Photovoltaic Properties of Core-Shell Si Nanowires with DFT
tiche042c Dr. Damien Thompson Computer-aided design of redox active monolayers for nanoelectronics II - Self-assembly of SCnFcC13-n ferrocene-alkanethiolate monolayers on silver
tiche044c Dr. Michael Nolan Simulation of Biogas Oxidation to Syn Gas
tiche045c Dr. Michael Nolan CO2 Activation on Metal Oxide Modified TiO2
tiche046c Mr. Yasheng Maimaiti Molecular Dynamics Simulations on PETN Interaction with Novel receptors
tiche048c Mr. Yasheng Maimaiti Understanding the Energy Landscape of Copper Atomic Layer Deposition Reaction from Copper Dimethylamino-2-propoxide and Diethylzinc
tiche050c Dr. John Carey Investigating metal-oxide slab thickness and metal cluster size for methanol synthesis
tiche054c Dr. Marco Fronzi Testing of Molecular Dynamics of surface modification of TiO2 surfaces for Photo-Catalytic reactions
tieng002c Dr. Jim Greer Investigation of the nature of defect states in InGaAs using Ab-Initio methods
tieng003c Dr. Lida Ansari First Principles Simulations of Junction-less Carbon Nanotube (CNT) Field Effect Transistor(FET)
tieng005c Dr. Lida Ansari First Principle Simulations of Semiconductor and Semimetal Nanowire Transistors
tieng007c Mr. Hadi Arefi Tuning the Workfunction of H:SiNWs (hydrogenated silicon nanowires)
tieng008c Dr. Lida Ansari First Principles simulation of semimetal thin films and nanowires for end of technology road map transistors
tieng009c Dr. Lida Ansari First Principles simulation of semimetal thin films and nanowires for end of technology road map transistors
tieng010c Dr. Pedram Razavi Convergence test and benchmarking first-principles calculations
tieng011c Dr. Lida Ansari First Principles simulation of semimetal thin films and nanowires for end of technology road map transistors
tiphy003c Dr. Sian Joyce First principles predictions of nuclear magnetic resonance J-coupling
tiphy006c Dr. Jim Greer Atomic scale model interfaces between high-k silicates and germanium
tiphy010c Dr. Giorgos Fagas Electronic Properties of Oxidised Silicon Nanowires
tiphy011c Dr. Jim Greer Monte Carlo Configuration Generation for Electronic Structure Computations
tiphy013c Mr. Marios Iakovidis Computer Simulations for Technology Design: A Divide, Reduce and Conquer Algorithm for Matrix Diagonalization.
tiphy014c Dr. Muhammad Usman Electronic Structure Calculations of GaBiAs and GaBiNAs Materials
tiphy015c Ms. Siobhan O' Halloran First-principles calculation of alloy scattering in III-V semiconductors using Quantum ESPRESSO code
tiphy016c Mr. Marios Iakovidis A Divide-Reduce-Conquer (DRC) Algorithm for Matrix Diagonalization
tiphy017c Dr. Felipe Murphy Performance of Nemo3d in hpc clusters
tiphy019c Dr. Jim Greer Defect calculations in InGaAs
tiphy021c Mr. Shane O Mahony Molecular dynamics of proteins adsorbing on self-assembled monolayers
tiphy022c Mr. Mateusz Chwastyk All-atom molecular dynamics simulations of the heteromeric polypeptide fusions of cohesin I modules.
tiphy023c Dr. Ivana Savic Reducing the thermal conductivity of PbTe based materials
tiphy025c Mr. Marios Iakovidis Divide Reduce & Conquer Benchmarking
tiphy026c Dr. Ramzi Benchamekh Tight-binding calculation of physical properties of semiconductor heterostructures.
tiphy027c Mr. Silviu Bogusevschi AlGaInP-based Quantum Dot LEDs as efficient red light sources
tiphy028c Dr. Ramzi Benchamekh Tight-binding calculation of physical properties of semiconductor heterostructures
tiphy029c Dr. Stefan Schulz Impact of random alloy fluctuations on electronic and optical properties of nitride-based quantum wells
tiphy030c Mr. Yasheng Maimaiti Geometry Optimization of 5 nm Copper Nanowire
ucast001c Dr. Mark Hannam Gravitational waves from black-hole binary collisions
ucast002c Dr. Mark Hannam Gravitational waves from black-hole binary collisions
ucast004c Mr. Colm Coughlan Monte Carlo Error Analyses of Very Long Baseline Interferometry Observations of Active Galactic Nuclei
ucast005c Mr. Michael O' Riordan Monte Carlo Simulation of Radiative Transport in Accretion Disks and Jets
ucche001c Dr. Noel O'Boyle Computational design of molecular wires for solar cells
ucche002c Dr. Noel O'Boyle Benchmarking and Profiling of Open Babel
ucche003c Dr. Noel O'Boyle Computational investigation of Cu catalysed intramolecular CH insertion reactions
ucche004c Dr. Colm O'Dwyer DFT studies of catalytic processes to improve rechargeability in lithium-air batteries
ucche005c Dr. Colm O'Dwyer DFT studies for role of additives in propylene carbonate (PC)-based electrolytes in lithium-ion batteries
ucche007c Mrs. Abulaiti Hairisha Investigation of Anionic Polymerization of cyanoacrylate
uceng002c Mr. Rehan Ahmed Neonatal Seizure Detection using dynamic classifiers
uceng003c Mr. Matthew Shanley Offshore Wind Farm Service Vessel, Hull Design Optimisation
uclif001c Dr. Charles Spillane Identification of orphan (ORFan) genes in fully sequenced genomes of higher eukaryotes.
uclif003c Dr. Pavel Baranov Simulation of the triplet genetic code evolution
uclif004c Dr. Daniel Falush Application of copying model approach to Helicobacter pylori.
uclif005c Dr. Pavel Baranov Identification of indel RNA editing patterns in the human genome
uclif006c Dr. Charles Spillane Identifying Taxon Restricted Genes in Higher Plants
uclif008c Dr. Marcus Claesson Genome analysis of gut microbiota and microbiomes
uclif009c Dr. Marcus Claesson Metagenomic analysis of human gut microbiomes
uclif010c Dr. Tom Moore EVOLUTION OF THE PREGNANCY-SPECIFIC GLYCOPROTEIN (PSG) LOCUS
ucmat001c Dr. Kingshuk Roy Choudhury Analysis of wave field images
ucphy001c Dr. Michael Flynn Intensive Numerical Simulation of Quantum-Dot Semiconductor Diode Laser Dynamics
ucphy003c Dr. Maria Elena Grillo Charge retention in SONOS non-volatile memory devices: oxide-nitride interfaces and deposition process
ucphy004c Mr. Tadhg Morgan Coherent Control of Atoms On Atom Chips Using STIRAP
ucphy005c Dr. Thomas Busch Coherent Control of Atoms On Atom Chips Using CTAP
ulche002c Dr. Jacek Zeglinski First-principles simulation of the elastic properties of glass
ulche003c Dr. Jacek Zeglinski Molecular associations of salicylic acid in solution
ulche004c Dr. Jacek Zeglinski Intermolecular interactions in solutions: solvation of parabens
ulche006c Dr. Marko Ukrainczyk Molecular Interactions of Impurities and Solvents in Crystallization of Pharmaceuticals
ulche014c Mr. Shayon Bhattacharya Revealing the Expanded Structural Geometries of Neurotoxic Proteins
ulche018c Dr. Adam Orlowski Amorphogenesis of cellulose crystals by Carbohydrate Binding Module protein
ulcom001c Dr. John Noll Automated Text Classification for Qualitative Content Analysis
ulcom002c Dr. Grzegorz Nawrocki Study of aqueous single amino acids near the surface of crystalline cellulose Ib in conventional and replica exchange molecular dynamics simulations
uleng001c Prof. Noel O'Dowd Effect of residual stress/strain on high temperature creep of polycrystals: A multiscale finite element analysis
uleng002c Prof. Michael McCarthy Mechanical behaviour of interlinked carbon nanotubes for nanocomposites and their potential pathogenicity
uleng004c Dr. Denis O'Mahoney Combined 3D finite element and response surface methods to predict the strength of adhesively bonded composite structures under impact loading
uleng005c Mr. Donal O'Dwyer Failure Prediction of Bonded-Bolted Composite Joints
uleng006c Mr. Brian Egan Finite Element Modelling of Countersunk Composite Joints subjected to Variable-Rate Loadings
uleng008c Mr. Ronan Frizzell Predicting the Effects of Damage Initiation and Growth in Composite Aircraft Structures Using a Continuum Damage Mechanics Approach
uleng009c Mr. Mark Hardiman Simulation of Nanoindentation of Fibrous Composites
uleng010c Dr. Michael Walsh Numerical investigation of flow and function in Vascular access geometries
uleng012c Mr. David Weidt Prediction of energy absorption characteristics of carbon nanotube/epoxy nanocomposites
uleng013c Dr. Daniel Mulvihill Mechanical Behavior of Carbon Nanotube Fibres
uleng014c Mr. Yinhua Zhou fatigue behavior of metal-composite hybrid bolted joints
uleng016c Dr. Hamed Yazdani-Nezhad Numerical Analysis of Impact Response of Bolted Joint Composite Panels
uleng017c Dr. Conor Mccarthy Simulating Pull-Through Failure in Composite Aircraft Fuselage Joints using Explicit Finite Element Analysis
uleng019c Prof. Michael McCarthy Finite Element Modelling of Automated Tape Laying of Thermoplastic Composites
uleng024c Mr. Jerry O'Brien Blade Wake Interactions
uleng025c Mr. Bram Bavelaar On the use of DNS for a Rushton turbine stirred vessel
uleng026c Dr. Philip Griffin CFD Modelling of Wind Turbine Wakes in Yawed Flow
uleng027c Mr. Daniel Mortell Simulation of Transverse Crack Growth and Delamination of Composite Materials
uleng028c Prof. Harry Van den Akker Direct Numerical Simulations of the (marginally) turbulent flow field in a vessel stirred by a Rushton turbine
uleng029c Mr. Philip Sharos Effect of Fibre Orientation on Bearing Bypass Loads in Composite Bolted Joints.
uleng031c Dr. John Tynan Air-side computational fluid dynamics of a modular air cooled condenser
uleng032c Dr. Philip Griffin Computational Aeroacoustics Modelling of Horizontal Axis Wind Turbine
ulmat001c Dr. Davide Cellai Stochastic simulations of product adoption models
ulmat003c Dr. Davide Cellai Percolation on multiplex networks
ulmat004c Dr. Davide Cellai Percolation models of multiplex networks
ulphy001c Dr. Zakia Rahman Multi scale Modelling of Rare Earth Doped Nanowires
ulphy002c Dr. Jacek Zeglinski Piezoelectric tensors of strontium-doped hydroxyapatite from ab-initio calculations
ulphy003c Mr. Drahomir Chovan Low dimensional and porous NiTi based alloys
ulphy004c Mr. Shane O Mahony Molecular Dynamics Simulations of proteins adsorbing to Self-Assembled Monolayers
ulphy005c Ms. Melissabye Gunnoo Mechanical hypothesis of the cellulosome domain - Carbohydrate Binding Module
ulphy006c Dr. Pierre-André Cazade Quantum Calculations of Charge Transport through Molecular Tunnel Junctions
ulphy008c Mr. Ahmad Ziaee Atomistic Simulation of Adsorption in Metal-Organic Frameworks
ulphy009c Dr. Pierre-André Cazade Study of protein--SAM configuration space and energy landscape by means of Replica Exchange Molecular Dynamics
ulphy010c Dr. Damien Thompson Scaling tests for molecular dynamics simulations of peptide dendrimers
ulphy011c Mr. Shane O Mahony Investigating the Free Energy landscape of Hydrophobin proteins adsorbing to Self-Assembled Monolayers using Steered Molecular Dynamics Simulations
ulphy012c Mr. Shane O Mahony Molecular Dynamics Simulations of Human Epidermal Growth factor adsorbing to Self-Assembled Monolayers
ulphy015c Mr. Shane O Mahony Preliminary exploration of the potential energy surface of mixed monolayers
ulphy017c Ms. Aimee Stapleton The origin of piezoelectricity in protein molecular crystals
ulphy018c Dr. Jose Luis Dominguez Meijide Identification and structural characterization of the primordial cytotoxic conformers of the amyloidogenic cascade: Preliminary studies

Cosmogrid Projects

Between the September 1st, 2005 and the decommissioning of the Walton and Hamilton services in December 2008, 42 Cosmogrid research projects were approved.

Code PI Title
cg001 Dr. Mark Eric Dieckmann Large-scale particle-in-cell simulations of ultrarelativistic two stream instabilities
cg002 Dr. Padraig O'Connor Investigating Pulsars
cg003 Mr. Sean Corkery The Stability of Rotating Jets: Numerical Simulations.
cg004 Ms. Daniela Pandolfi map an model crustal damages
cg005 Mr. Szymon Gladysz A model of the eclipse shadow bands formation
cg006 Dr. Sebastien Leygnac Radiation in astrophysical shocks
cg007 Mr. Ray McGrath Climate Modelling
cg008 Dr. Edouard Audit Radiation-hydrodynamics for Jets
cg009 Dr. Gareth O'Brien Seismic source modelling and wave propagation in volcanoes
cg010 Mr. Stephen Bourke Searching for Binary Pulsars
cg011 Mr. Gregg Hallinan Development of a Parallel, Fully Relativistic, 3-Dimensional, Particle-in-Cell Code to Model Electron Cyclotron Maser Emission from Brown Dwarfs
cg012 Dr. John MacDonald Large scale Modular 3D Relativistic, Fully Parallel Simulation of a Pulsar Magnetosphere using P.I.C methodology.
cg013 Dr. Andrea Ciardi A Laboratory Astrophysics Investigation of Jets
cg014 Dr. Ivan Lokmer Moment-tensor inversion for the long-period seismic sources before the Mt. Etna 2004 eruption
cg015 Mr. Brian Clayton Parallel Approximate Finite Element Inverse Preconditioning on Distributed Systems
cg016 Dr. Brian Reville MHD wave excitation in astrophysical shocks
cg017 Dr. Thibaut Lery Star formation simulations
cg018 Dr. Gareth Murphy Modelling Astrophysical Jets
cg019 Mr. Anthony Moraghan A new study of Magnetohydrodynamic jets
cg020 Dr. Fabio De Colle Jet Simulations using a shared memory system
cg021 Dr. Alex Rosen Initialisation of molecular ZEUS-3D on hamilton
cg022 Dr. Celine Ravaut Full waveform inversion for geophysical imaging
cg023 Mr. Andrew Cunningham Protostellar Outflow Driven Turbulence
cg024 Dr. James MacDonald Discrete Dipole Approximation Scattering Simulation
cg025 Ms. Anna Avdeeva CosmoGrid
cg026 Dr. Stephen O'Sullivan Multifluid simulations of dense molecular clouds
cg027 Dr. Dmitry Avdeev geoelectromagnetic modelling and inversion in three dimensions
cg028 Dr. Brian Espey Understanding mass loss in stars like the Sun
cg029 Dr. Andrew Lim Simulations of Magnetically Dominated Regions of The ISM
cg030 Dr. Brian Coghlan Evaluating SMG on a real SMP
cg031 Dr. Jose Gracia Large-scale simulations of jets
cg032 Dr. Conor Masterson Monte Carlo simulations of very high energy gamma-raysources for H.E.S.S.
cg033 Dr. Andrea Mignone Cooling and heating processes in Herbig-Haro jets
cg034 Dr. Stephen O'Sullivan Transport properties of relativistic particles in the turbulent magnetic fields of radio galaxy lobes
cg035 Mr. Tobias Cornelius Hinse N-Particle Dynamics and Mapping of Phase-Space Topology of Jovian Irregular Satellite Systems
cg036 Dr. Stephen O'Sullivan Transport of cosmic rays in self-excited magnetic turbulence
cg037 Dr. Sarah Tanner Multifluid Dynamo Simulations
cg038 Dr. Jonathan Mackey Radiative Transfer Effects on the Interstellar Medium (Code Development and Testing)
cg039 Prof. Alan Jones Development of a new 3D magnetotelluric inversion program and its application to the Southern African Magnetotelluric Experiment data
cg040 Mr. Jamie O'Sullivan JETSET - Molecular Cooling effects in Protostellar Jet propagation
cg041 Mr. Alex Byrne Particle Acceleration In A Turbulent Magnetic Field
cg042 Mr. John Sheehan Analogue modelling simulations

Transitional Service

Between September 1st, 2005 and May 31st, 2006, 73 Transitional Service projects were approved:

Code PI Title
cslif001 Dr. Anthony J. Chubb Computer-Aided Design of Novel Anti-Thrombotic Agents
cslif002 Dr. Edelmiro Moman Rational Design of Selective Inhibitors of the Two Catalytic Sites of Prostaglandin Endoperoxide Synthase.
dcche001 Mr. William Henry Interaction of Ru Polypridyls With Carbon Nanotubes.
dceng001 Dr. Caitriona Lally An investigation into the influence of cardiovascular stent design on arterial stresses and in-stent restenosis using the finite element method
icear001 Dr. Gerard Gorman Parallel unstructured adaptive mesh method for three-dimensional range-of-scale ocean modelling
iclif002 Dr. Gemma Kinsella Structural Refinement Studies of the Nicotinic Receptor
icphy001 Dr. JC Desplat A study of 3-D binary fluid mixtures under shear
ndche001 Dr. Maxim Fedorov In silico study of conformational and thermodynamical properties of self-assembled structures formed by rationally designed oligopeptides.
ndeng001 Dr. Scott Rickard Enumeration of 27-by-27 Costas arrays
ndlif001 Dr. Jens Nielsen Re-Designing protein pKa values
ndlif002 Dr. Matthew Sullivan Analysis of proteomics mass spectum data for dynamic modifications
ndlif004 Prof. Paul McKeigue Modelling genetic admixture in human populations
ndlif005 Dr. Gianluca Pollastri Towards improved ab initio prediction of protein structures through accurate residue contact map prediction
ndlif006 Mr. Gordon Blackshields Parameter optimisation and over-optimisation in multiple sequence alignment
ndlif007 Dr. David Fitzpatrick Comparative genomics of pathogenic Candida species
ndlif008 Mr. Iain Wallace Designing a Multiple Domain Database for benchmarking multiple sequence aligment methods
ndlif009 Mr. Ian Jeffery Comparison and evaluation of microarray feature selection methods.
ndmat001 Ms. Laura Kirwan Simulation study to test the reliability of a Taylor Series approximation to the standard errors of predicted proportions resulting from an RGRD analysis
ndphy001 Dr. Ronan McNulty Resource discovery for particle physics simulations
ndphy002 Dr. Dominic Zerulla Surface Plasmon Polaritons on Tuneable Nanostructures for the Detection of Conformational Changes in Proteins
ngast001 Dr. Matt Redman Inhomogeneous accretion flows and massive star formation
ngche001 Prof. John Simmie Towards a World Class Combustion Chemistry Centre
ngcom001 Dr. Michael Browne Optimising external computation for Euro50 integrated model
ngear001 Dr. Colin Brown Multibeam acoustic backscatter modelling in the marine environment
ngear002 Dr. Michael Hartnett Predictive Irish Sea Model
ngear003 Mr. Martin Kenirons Tectonic studies in bathymetric data
ngeng001 Dr. Denis O'Mahoney Parallel Element by Element Solution of Voxel Generated Finite Element Meshes of Trabecular Bone
ngeng002 Mr. Frank Harewood Microscale modelling of the mechanical behaviour of Cardiovascular Stents
ngeng003 Dr. Noel Harrison Finite Element Mesh Generation and Postprocessing from CT scans of Trabecular Bone
ngeng004 Dr. Xiaochuan You Microscale modelling of the wear behaviour of thin self-lubricating coatings
ngeng005 Mr. Daniel Ilie Testing and Modelling to Determine Size Effects in Small Metallic Cardiovascular Devices
ngeng006 Dr. Noel Harrison Computational modelling of Trabecualr Bone using ABAQUS
ngeng007 Mr. Brendan Flaherty A continuum finite element model predicting cell motility
ngeng008 Mr. Liam Mullins Characterisation of the Fracture Behaviour of Cortical Bone
ngeng009 Dr. Nathan Quinlan Large Eddy Simulation of Turbulent Wind Loading on an Extremely Large Telescope
ngeng010 Mr. Kevin Heraty Characterising the fluid dynamics and particle trajectories in anatomically realistic airway bifurcations
nghum001 Dr. Michael McGettrick Markovian Structures in Irish music
nglif001 Dr. Aaron Golden Identification of Transcription Factor Binding Sites Associated with Imprinted Genes in Human using SOMBRERO
nglif002 Mr. Shaun Mahony Comparing the performance of motif-finders in a model genome
nglif003 Dr. Aaron Golden Characterising ChIP-chip derived CTCF binding site motifs Genomewide
ngmat001 Dr. Goetz Pfeiffer COMPUTING SUBGROUPS OF ALMOST SIMPLE GROUPS.
ngphy001 Dr. Dmitriy Ivanov Computational Investigation of Nanojet Formation Mechanism by Short Laser Pulse on a Metal Films.
ngphy002 Mr. Patrick Downes Medical Physics simulations of radiotherapy machines
nmcom001 Mr. Damien Tully Biomedical and computational analyses of cell-protein interactions with RNA viruses
nmlif001 Dr. Jennifer Commins Ramble: The Evolution Simulator
nmlif002 Mr. Thomas Keane Eukaryote Phylogeny
nmlif003 Dr. Davide Pisani Methodological Aspects in the reconstruction of the tree of life
nmlif004 Dr. Gayle Philip Tracing the Origin of Plasmodium falciparum genes
nmlif005 Mr. David McNally Heat Shock Proteins in Prokaryotes
nmlif006 Dr. Simon Travers Large scale analysis of inter-protein coevolution
nmphy001 Dr. Vladimir Yurchenko Simulations of the Broadband HFI-100 Beams of the ESA Planck Telescope
tcast001 Dr. Brian Espey Intelligent Software Analysis of Astronomical Spectra DBs
tcast002 Dr. Brian Espey Understanding mass loss in stars like the Sun
tcche001 Dr. Isabel Rozas Designing and modeling new catalysts for the Baylis-Hilman reaction
tclif001 Prof. Kenneth Wolfe Assembling the genome sequence of the yeast Kluyveromyces polysporus
tcphy001 Dr. Sri Chaitanya Das Pemmaraju Theoretical Studies into teh Ferromagnetism of Strongly Correlated Dilute Magnetic Semiconductors
tcphy002 Dr. Maria Stamenova Current-driven geometric and magnetic rearrangements in spin-polarized point contacts
tcphy003 Dr. Stefan Hutzler Numerical Studies of Granular Materials and Foams
tcphy004 Mr. Shane Magee Simulated annealing of light nuclei in the Skyrme model
tcphy005 Mr. Andrew Wall Electronic Properties of Doped Carbon Nanotubes
tcphy006 Prof. Stefano Sanvito SPIN-ORBIT COUPLING IN MOLECULAR CHAINS, HETEROSTRUCTURES AND POINT CONTACTS
tcphy007 Mr. Alexandre Rocha Transport properties of nanoscale devices
tcphy008 Mr. Ruairi Hanafin Monte Carlo Simulations of donor impurity band exchange in dilute ferromagnetic oxides
tcphy009 Mr. Nicola Jean Inelastic transport through atomic chains
tiche001 Dr. Damien Thompson Simulation of molecular printboards for nanopatterning
tiche002 Dr. Jim Greer Installation and test of MCCI
tieng001 Mr. Scott Monaghan Energy Optimization and Molecular Dynamics Simulations on Interfacial Stacks of Silicon, Silica and Hafnium Silicates
tieng002 Dr. Michael Nolan Modelling of the Electronic Properties of Novel Transparent Conducting Oxides
tiphy001 Dr. Simon Elliott Large-scale, high-precision calculations of low-temperature magnetite
tiphy002 Dr. Geoffrey Stenuit Electronic transport and vibrational properties in dilute nitrides
uceng001 Dr. Liam Marnane Analysis of new Low Density Parity Check Codes
uclif001 Dr. Mary O'Connell Evolution of Mammalian proteins
ulphy001 Dr. Zakia Rahman Multi scale Modelling of Rare Earth Doped Nanowires