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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 391 Results
Project Title Mobility Support for Older People in Smart Cities
Project Code HPC_18_01032
Principal Investigator Professor Siobhan Clarke
Start Date 2018-03-01
End Date 2021-02-28
Abstract The mobility experience of elderly people is affected by crossing and waiting times in their journey through the city. Cities must be Age-Friendly and their traffic management systems must take into account the older population to give them a better experience. Elderly citizens have reduced mobility, vision, and less reaction time affecting the overall city traffic. This can be improved if elderly citizens have priority in the city when they are moving in different transport modes. The IoT can help to solve this problem in the Smart City context. Current work improves traffic congestion but elderly citizens do not receive any benefit. Moreover, it works in one single junction rather than the whole city. We propose a distributed system that minimizes the waiting times for the elderly population providing a better experience and improves the overall congestion in the city.
Project Title Who Watches the Watchmen? Local News and Police Behaviour in the United States
Project Code HPC_18_01031
Principal Investigator Assistant Professor Nicola Mastrorocco
Start Date 2018-08-01
End Date 2019-08-01
Abstract Is information important to hold local institutions accountable? This paper explores the question by looking at how a decline in local news affects police departments. In particular, we exploit the staggered purchases of local TV stations by large broadcast groups, a likely negative shock to local news coverage, in a differences-in-differences design. To implement the analysis we combine unique data on local TV stations ownership and coverage from 2009 to present with detailed incident-based data from municipal police departments. First, we study whether decreased news coverage affects arrest rates while controlling for detailed incident characteristics. Second, we explore heterogeneous effects by whether a crime is more or less likely to receive local news coverage, as identified using text analysis and a sample of local TV news transcripts.
Project Title Stastistical optimisation of Functional Connectivity Metrics
Project Code HPC_18_01030
Principal Investigator Assistant Professor Clare Kelly
Start Date 2018-07-01
End Date 2018-09-30
Abstract The aim of this project is to use various resampling techniques to improve the reliability and accuracy of metrics of functional connectivity as established by fMRI. MRI and resting-state fMRI (rfMRI)Data is taken from open source CORR datasets. By applying bootstrap resampling techniques, this project looks to shorten the time necessary to scan a patient and establish functional connectivity metrics. It also looks to improve the accuracy and reliability of these established metric. We use data from participants with multiple scans to see if resampling has a concrete effect on our ability to identify subjects using functional connectome fingerprinting.
Project Title Cellular Signal Mobility
Project Code HPC_18_01029
Principal Investigator Assistant Professor Martina Kirchberger
Start Date 2018-07-18
End Date 2019-07-20
Abstract Using large amounts of cellular user data, we are determining measures of mobility and frequency of mobility in African and Asian countries. Geospatial models in R, primarily, will be used on user cellular microdata to determine their frequency of movements, locations, and other spatial modeling.
Project Title Many-body theory of antimatter interactions with atoms, molecules and condensed matter
Project Code HPC_18_01028
Principal Investigator Dr Charles Patterson
Start Date 2018-06-27
End Date 2021-02-01
Abstract This research programme will develop state-of-the-art many-body theory and its computational implementation to enable the most accurate calculations of positron and positronium interactions with atoms, molecules and condensed matter. Many-body theory is a powerful method that provides a natural, intuitive and systematic account of important positron-molecule and electron-positron correlations. This work will aim to elucidate the role of the strong correlations in positron-molecule and positron-condensed matter interactions in particular, providing fundamental insights that will enable the most accurate interpretation of fundamental atomic physics experiments, positron-based materials science techniques, and the development of next-generation antimatter-based technologies (e.g., positron traps and positron emission tomography).
Project Title DFT calculations over copper oxide/cerium oxide catalysts in preferential CO oxidation (CO-PROX)
Project Code HPC_18_01027
Principal Investigator Assistant Professor Max Garcia Melchor
Start Date 2018-06-20
End Date 2019-06-20
Abstract Preferential CO oxidation (CO-PROX) is a promising strategy to allow direct introduction of hydrogen produced by steam reforming into fuel cells for energy applications. Mixed copper and cerium oxide catalysts are materials that display an excellent synergistic performance towards CO-PROX in H2-rich gas mixtures, where the suppression of H2 oxidation is a key requirement. Despite extensive experiments and thorough characterisation studies reported over decades, a detailed computational investigation of this complex reaction environment is still lacking. Hence, this project aims to use advanced density functional theory (DFT) methods to reach a fundamental understanding of the complex CO-PROX reaction. The results derived from this project are expected to provide a unique insight into: (i) the range of CO oxidation selectivities observed by with different copper oxidation states; (ii) the abundance and stability of surface reaction intermediates based on experimental kinetic studies; (iii) the oxygen diffusion mechanism and rates over the cerium oxide support.
Project Title Excitonic Density-Functional Theory
Project Code HPC_18_01025
Principal Investigator Prof David O'Regan
Start Date 2018-06-04
End Date 2018-09-10
Abstract State-of-the-art methods for calculating neutral excitation energies are typically demanding and limited to single electron-hole pairs and their composite plasmons. I will introduce excitonic density-functional theory (XDFT) a computationally light, generally applicable, first-principles technique for calculating neutral excitations based on generalized constrained DFT.
Project Title Simulation of dielectric anisotropy at Si surfaces and interfaces
Project Code HPC_18_01023
Principal Investigator Dr Charles Patterson
Start Date 2018-06-11
End Date 2018-08-17
Abstract To continue first principles theoretical work in collaboration with the group of Prof. Thomas Hannappel in Ilmenau, Germany who use dielectric anisotropy to determine properties of buried semiconductor interfaces.
Project Title Simulation of dielectric anisotropy at Si surfaces and interfaces
Project Code HPC_18_01022
Principal Investigator Dr Charles Patterson
Start Date 2018-06-11
End Date 2018-08-17
Abstract To continue first principles theoretical work in collaboration with the group of Prof. Thomas Hannappel in Ilmenau, Germany who use dielectric anisotropy to determine properties of buried semiconductor interfaces.
Project Title Thermodynamic Stability of Heusler Alloys
Project Code HPC_18_01020
Principal Investigator Prof Stefano Sanvito
Start Date 2018-05-08
End Date 2018-08-15
Abstract This project investigates the thermodynamic stability of magnetic Heusler alloys. We'll be looking at different crystal structures, magnetic configurations of selected Heusler alloys.