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Ongoing Research Projects supported by Research IT

Listing of project codes and abstracts, describing work undertaken which use the resources of the compute clusters hosted by the Research IT team.

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Showing 10 of 419 Results
Project Title Magnetoelectricity in Ni-based Tellurates
Project Code HPC_19_01068
Principal Investigator Prof Stefano Sanvito
Start Date 2019-07-24
End Date 2020-07-24
Abstract Multiferroics (MFs) are materials that can combine at least two primary ferroic properties: ferromagnetism, ferroelectricity and ferroelasticity. In the case of magnetoelectric (ME) MFs, coupling between ferroelectricity and ferromagnetism occurs. The understanding of the underlying quantum-level microscopic mechanisms that lead to ME coupling is essential for the engineering of novel ME MFs, since the ones already existing in nature are very limited. Spin-induced ferroelectrics manifest among the strongest ME effects ever recorded. In particular, the polar antiferromagnet Ni3TeO6 transcends the ME performance of all other single-phase MFs, because it exhibits non-hysteretic colossal ME coupling. A solid theoretical approach is essential for further insight in the fundamental physics hidden behind magnetoelectricity. On these grounds, we propose electronic and magnetic structure first principles calculations for Ni3TeO6, aiming at investigating the magnetocrystalline anisotropy and magnetic exchange interactions in Ni3TeO6.
Project Title development of an on-chip optical frequency synthesizer
Project Code HPC_19_01066
Principal Investigator Prof John Donegan
Start Date 2018-01-01
End Date 2021-12-31
Abstract With the help of a self-referenced optical frequency comb (OFC), optical frequencies can be controlled to the same precision as microwave frequencies. Currently self-referenced OFC systems are only available through bench-top setups such as a combination of femtosecond pulsed lasers, EDFAs, and highly nonlinear optical fiber. The whole setup is bulky, expensive and sensitive to environment changes. There is strong interest to miniaturize the whole setup to chip-scale so that a highly accurate optical frequency source would be cheap and easily available for applications such as a chip-scale optical clock, high spectral efficiency optical communications, and LiDAR.
Project Title Abundance tomography of SNe Ia
Project Code HPC_19_01064
Principal Investigator Dr Mark Magee
Start Date 2019-07-16
End Date 2022-03-01
Abstract Abundance tomography is used to map the composition of the ejecta in supernovae. This allows for the interrogration of which elements are produced and in what amounts, providing vital constraints on explosion models. This project will involve testing abundance tomography models of SNe Ia by calculating light curves. Comparisons between the model and observed light curves will demonstrate whether the current abundance tomography analysis is suitable.
Project Title Effects of the 56Ni distribution
Project Code HPC_19_01063
Principal Investigator Dr Mark Magee
Start Date 2019-07-08
End Date 2021-02-28
Abstract Despite being generally regarded as a homogeneous group, it is becoming increasingly evident that normal SNe Ia can show significant diversity. Differences in the explosion mechanisms and conditions are imprinted on the light curve shapes and colours, allowing for the interrogation of the physical conditions (density profile, composition, etc.) within the supernova. This project will investigate how differences in the nucleosynthesis of the explosion impacts the light curves and key physical parameters that have been neglected in previous studies. I will present models calculated with our radiative transfer code and show that these may be used to provide constraints on the explosion mechanism for individual objects and to determine the exact explosion date. With these models in hand, I will also discuss what observations are necessary to constrain the properties of future objects. This will become increasingly important in future years, as upcoming surveys discover SNe at earlier times, and in greater numbers.
Project Title Krylov Subspace Techniques for Unitary dynamics in complex quatum systems
Project Code HPC_19_01062
Principal Investigator Prof John Goold
Start Date 2019-06-13
End Date 2019-12-31
Abstract The study of diverse dynamical properties in complex quantum chaotic systems is central in applications related to quantum technologies and has received a renovated interest, in part due to recent advances in, e.g., quantum computation and simulation, cold atom experiments and superconducting nanowires. These technologies ultimately rely on the ability to communicate information using a quantum system as a working medium and these studies are, therefore, crucial. In this project, we use Krylov subspace techniques to carry out simulations of unitary quantum dynamics of complex and strongly interacting systems; which constitutes a powerful technique for studies of dynamical properties. Specifically, we are interested in physical systems that exhibit a many-body localisation transition, a demanding task that requires the study of both large systems and long-time dynamics. The analysis we propose provides a theoretical description in recent experiments using ultracold atoms and trapped ions in optical lattices. The goal of this research is to numerically study the properties of many body quantum systems. In particular we study large-scale spin-1/2 chains, and rings, modelled by the XXZ Hamiltonian. The aim is study chains with up to thirty sites, this being computationally expensive requires the use of numerical techniques and massive parallelisation. The dynamics of characterisations of the spin chain, such as density profiles , fidelity, under time evolution are studied. An investigation into various observables will also be carried out.
Project Title SERS
Project Code HPC_19_01061
Principal Investigator Prof Parvaneh Mokarian-Tabari
Start Date 2019-05-24
End Date 2020-05-24
Abstract We want to simulate the electric near-field enhancement of a novel plasmonic slab. The later consist of a perforated gold film that is coupled with a Babinet complementary disk array. Hole film and disk array are seperated by silicone nanopillars. We want to correlate simulated results with experimental surface enhanced Raman spectroscopy (SERS) enhancement factors. The SERS templates are fabricated in our groupe by block copolymer lithography.
Project Title Development of Whole Genome Sequencing in the Irish Mycobacteria Reference Laboratory
Project Code HPC_19_01059
Principal Investigator Professor Tom Rogers
Start Date 2019-04-30
End Date 2020-12-31
Abstract The advancement of whole genome sequencing (WGS) has not only allowed for rapid identification of species, but has enabled a wealth of information pertaining to the organism sequenced. This includes information governing genes related to the virulence traits of the organism and mutations in existing genes encoding antimicrobial drug resistance. In a clinical setting, this information is vital to guide appropriate patient management and for successful treatment outcomes. Furthermore, WGS data can be used to determine strain relatedness and track strains in outbreaks. The Irish Mycobacteria Reference Laboratory, situated at St James's Hospital is the National Reference Laboratory for Mycobacteria in Ireland. The primary focus of the IMRL is to recover and identify mycobacterial species [both TB and Non Tuberculous Mycobacteria (NTM)] from patients specimens; to perform drug susceptibility testing to guide patient management and to perform epidemiological typing of TB isolates to facilitate public health investigations. Currently, conventional phenotypic methods utilising culture media are used for organism recovery and for performing drug susceptibility testing. Current molecular methods involve PCR and target sequencing of specific genes however, these methods lack the greater insight that can be achieved with WGS. In addition to the IMRL, WGS will be performed in collaboration with the National MRSA Reference Laboratory. Resources will be pooled in order to enhance the services provided by both reference laboratories through translational research performed using both Illumina and Oxford NanoporeTechnolology. The translational research we are currently undertaking aims to provide rapid onsite WGS analysis of M. tuberculosis and nosocomial MRSA strains in order to improve the quality of patient care and treatment and ultimately provide a centre of excellence with regard to rapid identification of species and their genetic profile.
Project Title Athermal Operation of Semiconductor Lasers
Project Code HPC_19_01058
Principal Investigator Prof John Donegan
Start Date 2018-07-01
End Date 2020-06-30
Abstract We are working on the project, looking at how laser technology could deliver highly energy-efficient devices for future optical networks. Our main goal is to design the low power semiconductor lasers for optical network applications. The idea is that such technology could potentially lead to broadband speeds exceeding 1Gb/s.
Project Title EELS simulations for plasmonic metal particles
Project Code HPC_19_01057
Principal Investigator Dr Richard Hobbs
Start Date 2019-04-01
End Date 2020-04-01
Abstract Plasmonic materials can amplify optical fields via localized surface plasmon resonances (LSPRs), thus providing routes to enhance energy harvesting from light, photocatalysis, nonlinear optical processes, and optoelectronic performance. Scaling the dimensions of Indium nanostructures toward the atomic scale enables greater confinement of plasmonic hotspots. These confined hotspots can drive processes such as those listed above. Careful control of the size and position of Indium clustures is critical to controlling the location of plasmonic hotspots, which in turn determines how and where energy is transferred to neighboring materials for the applications described above. Here we carry out TDDFT simulations to calculate electron energy losss spectrum and optical spectrum of small indium clusters.
Project Title Penetration of Particulate Matter on the E3 Building
Project Code HPC_19_01056
Principal Investigator Prof John Gallagher
Start Date 2018-09-24
End Date 2019-04-08
Abstract Particulate Matter is one of the most detrimental forms of air pollution to the public. It is a complex mixture of extremely fine solid and liquid particles suspended in air mainly from fuel combustion and vehicle emissions. At present, outdoor particulate matter is filtered by mechanical ventilation to prevent it entering indoors. However, HVAC systems account for up to seventy percent of a buildings energy consumption which comes at an environmental and financial cost. Natural ventilation is preferred but This project aims to simulate and analyse particulate matter patterns for the planned E3 buildings on Trinity College Dublin Campus. Local wind and particulate matter will be used to simulate the particulate matter pattern around the E3 Building and how it interacts with the building. This Interim Report details the background of the project, examines the impact of air pollution and the planned work of the project.