Logo of Science Foundation Ireland  Logo of the Higher Education Authority, Ireland7 Capacities
Ireland's High-Performance Computing Centre | ICHEC
Home | News | Infrastructure | Outreach | Services | Research | Support | Education & Training | Consultancy | About Us | Login

Active Research Projects

Active Project Breakdown

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

Chemistry (31) 3 class A Chemistry projects 3
9 class B Chemistry projects 9
19 class C Chemistry projects 19
Class A project colour Class A (9)
Class B project colour Class B (42)
Class C project colour Class C (145)
Computer science (6) 0 class A Computer science projects 0
0 class B Computer science projects 0
6 class C Computer science projects 6
Earth sciences (13) 1 class A Earth sciences projects 1
0 class B Earth sciences projects 0
12 class C Earth sciences projects 12
Engineering (36) 1 class A Engineering projects 1
5 class B Engineering projects 5
30 class C Engineering projects 30
Life sciences (40) 0 class A Life sciences projects 0
11 class B Life sciences projects 11
29 class C Life sciences projects 29
Physics (57) 1 class A Physics projects 1
14 class B Physics projects 14
42 class C Physics projects 42
Others (13) 3 class A Other projects 3
3 class B Other projects 3
7 class C Other projects 7
Active research projects per application class & scientific field

Class A Projects

There are currently 9 active Class A projects:

Code PI Title
dsast013a Prof. Tom Ray Coupling of the solar atmosphere through small-scale transients
ndche010a Dr. Simone Meloni Deprotonation of Weak Acids in Water by Temperature Accelerated (hybrid) Monte Carlo
ndche011a Dr. Niall English Comprehensive modelling of a new family of dye-sensitised solar cells (DSSCs): the titania-chromophore/room-temperature ionic liquid half cell
ndmat018a Prof. Gary McGuire Setting a World Record for Discrete Logarithm Based Cryptography
ndmat019a Prof. Frederic Dias High-end computational modelling for wave energy
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)
tiche052a Dr. Michael Nolan Simulation-Lead Design of Catalysts for Methanol Synthesis from Biogas
uleng021a Prof. Michael McCarthy Multi-functional Graphene/Carbon Nanotube Nanocomposites

Class B Projects

There are currently 42 active Class B projects:

Code PI Title
dcast005b Dr. Turlough Downes MF-DISK: Protoplanetary disk dynamics: the multifluid magneto-rotational instability, gaps and jets
dclif027b Dr. Mary O'Connell Genomic rearrangements as a mechanism of novel gene genesis in amniotes
dclif033b Dr. Mary O'Connell Placing the root of the placental mammals
dtast003b Dr. Stephen O'Sullivan Radiation reaction in shear acceleration.
ndlif030b Prof. Emma Teeling Ageless: a comparative genomics and wildlife transcriptomics project to uncovere the mechanisms of extended longevity in bats
ndlif037b Dr. Simon Furney Anaysis of next generation sequencing data from breast cancer patients
ndlif040b Dr. Simon Furney Anaysis of next generation sequencing data from cancer patient samples
ndmat024b Dr. Lennon O'Naraigh Towards a complete theoretical and numerical description of three-dimensionality in phase separation
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
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
nglif018b Dr. Charles Spillane Identification of orphans in sequenced plant species
nglif021b Dr. Noel Harrison Orthopaedic Implant Design and Computational Simulation
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
nmphy008b Dr. Niall Moran Topological order of fractional quantum Hall systems on toroidal geometries
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
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
tcphy038b Dr. Carlo Motta Charge transport in organic crystals with Wannier functions
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
tcphy063b Dr. Maria Stamenova Time-domain simulations of ultra-fast laser-induced spin dynamics in ferrimagnetic materials from first principles
tcphy065b Dr. Charles Patterson Impact of silicon surface oxidation on transistor performance
tcphy066b Dr. Carlo Motta Charge transfer energies of benzene molecule physisorbed on graphene and graphite
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
tiphy024b Dr. Ivana Savic Manipulating the thermal conductivity of PbTe via strain
ulche007b Dr. Marko Ukrainczyk Molecular Interactions of Impurities and Solvents in Crystallization of Pharmaceuticals
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
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
appuleng025 Dr. Dongfeng Li Multiscale modelling of the cyclic response of the inter-critical heat-affected zone in P91 martensitic weldments at elevated temperature

Class C Projects

There are currently 145 active Class C projects:

Code PI Title
cslif009c Dr. Guiyeom Kang ANGIOPREDICT : Predictive Genomic Biomarkers Methods for Combination Bevacizumab (Avastin) Therapy in Metastatic Colorectal Cancer
cslif010c EPIPGX: the pharmacogenetics of epilepsy.
cslif011c Ms. Caragh Stapleton The genetics of renal failure
cslif012c Ms. Amy Cole The genetics of high altitude adaptation
dcche007c Prof. Conor Long Using Time-Dependent Density Functional Theory to Model Excited-State Dynamics of Inorganic and Organometallic systems
dccom033c Dr. Rami Albatal TRECVID 2014 - Insight participate
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
dclif038c Mr. Raymond Moran Ancestry analysis of rhb (Rhizobactin siderophote biosynthesis) genes in siderophores
dcphy006c Mr. Sean Kelly Modelling of an atmospheric pressure low temperature plasma reference jet
dsast011c Prof. Tom Ray Coupling of the solar atmosphere through small-scale transients
dsast014c Ms. Rachael Ainsworth Calibrating LOFAR Observations of Young Stellar Objects
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
dtast002c Dr. Stephen O'Sullivan Radiation reaction in shear acceleration.
dteng007c Mr. Eoin Murphy Assessment of Helical-Flow-Inducing Stents in the Left Coronary Artery Using Computational Fluid Dynamics (CFD)
icast004c Dr. Michael Lysaght Enabling PRMAT on Xeon Phi - PRACE 2IP WP8
icear001c Mr. Alastair McKinstry Benchmarking of EC-Earth 3.2 with PISCES
icphy005c Dr. Alin Elena The Ultimate Question of Life, the Universe and Everything
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
mephy001c Dr. Emily Gleeson Physics tuning experiments in version 3.0 of the EC-Earth global climate model
ndcom003c Dr. Anthony Ventresque Performance Testing of Large Scale Distributed Systems
ndear017c Dr. Yingzi Ying Calculation Cross-correlations of Microseism Noise in a North-East Atlantic 3D Geological Model
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 Mr. 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
ndlif029c Dr. Kevin O'Brien Protein Backbone Torsional Signaling in Protein Interactions
ndlif032c Dr. Anthony J. Chubb Virtual screening capacity building towards rapid drug discovery.
ndlif034c Dr. Veranika Zobnina 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
ndmat023c Dr. Miguel Bustamante Extreme Events in highly nonlinear regimes: Spatio-temporal structures of pre-shock singularities in 3D Euler fluid equations
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
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
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
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
nglif022c Mr. Paul Gunning The Effect of Stent Deployment Asymmetry on the Performance of Transcatheter Aortic Valve Replacement
ngphy009c Dr. Damien Martin (INFORM) Integrated Volcanic Ash modelling system 2
ngphy010c Ms. Margaret Toohey Monte Carlo modeling of gold nanoparticle enhanced radiotherapy
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)
nmcom005c Dr. Victor Lazzarini Implementation of Parallel Audio DSP programs
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
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
nmphy009c Dr. Jonivar Skullerud Heavy quark phenomenology in the quark-gluon plasma
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
tccom003c Dr. David Gregg Evaluating parallel code generation strategies for Intel Xeon Phi and GPUs
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
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
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
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
tiphy025c Mr. Marios Iakovidis Divide Reduce & Conquer Benchmarking
tiphy026c Dr. ramzi benchamekh Tight-binding calculation of physical properties of semiconductor heterostructures.
ucast005c Mr. Michael O' Riordan Monte Carlo Simulation of Radiative Transport in Accretion Disks and Jets
ucche007c Mrs. Abulaiti Hairisha Investigation of Anionic Polymerization of cyanoacrylate
ulche006c Dr. Marko Ukrainczyk Molecular Interactions of Impurities and Solvents in Crystallization of Pharmaceuticals
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
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.
ulmat004c Dr. Davide Cellai Percolation models of multiplex networks
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

Condominium Shares

As part of a shared services model, a number of HEIs have availed of the opportunity to own shares (or condominiums) on Stokes. The table below gives the details of these condominium shares.

Institution No. Shares No. Cores No. Users
DCU 1 96 51
DIAS 1.5 144 24
NUIG 0.5 48 20
NUIM 2 192 28
UCD 3.25 312 89
UL 0.5 48 31

Expired Projects

This page doesn't include any data for expired projects. For details of these please visit the expired research projects page.