MPI
The message passing interface for parallel execution.
For queries about this topic, contact Chris-Kriton Skylaris.
View the calendar of events relating to this topic.
Projects
Advanced modelling for two-phase reacting flow
Edward Richardson (Investigator)
Engine designers want computer programs to help them invent ways to use less fuel and produce less pollution. This research aims to provide an accurate and practical model for the injection and combustion of liquid fuel blends.
Aerofoil noise
Richard Sandberg (Investigator)
High-performance computing is used to identify noise sources on aerofoils.
B-meson coupling with relativistic heavy quarks
Jonathan Flynn (Investigator), Ben Samways, Dirk Broemmel, Patrick Fritzsch
We non-perturbatively compute the coupling between B* and B pi meson states relying on relativistic heavy quarks and domain wall light fermions. The coupling is of importance for an effective description of hadronic heavy meson decays.
BRECcIA - Building REsearch Capacity for sustainable water and food security In sub-saharan Africa
The BRECcIA project is aimed at developing research and researchers to understand water and food security challenges in sub-Saharan Africa
Cellular Automata Modelling of Membrane Formation and Protocell Evolution
Seth Bullock (Investigator), Stuart Bartlett
We simulated the meso-level behaviour of lipid-like particles in a range of chemical and physical environments. Self-organised protocellular structures can be shown to emerge spontaneously in systems with random, homogeneous initial conditions. Introducing an additional 'toxic' particle species and an associated set of synthesis reactions produced a new set of ecological behaviours compared to the original model of Ono and Ikegami.
Centre for Doctoral Training in Next Generation Computational Modelling
Hans Fangohr, Ian Hawke, Peter Horak (Investigators), Susanne Ufermann Fangohr, Thorsten Wittemeier, Kieran Selvon, Alvaro Perez-Diaz, David Lusher, Ashley Setter, Emanuele Zappia, Hossam Ragheb, Ryan Pepper, Stephen Gow, Jan Kamenik, Paul Chambers, Robert Entwistle, Rory Brown, Joshua Greenhalgh, James Harrison, Jonathon Waters, Ioannis Begleris, Craig Rafter
The £10million Centre for Doctoral Training was launched in November 2013 and is jointly funded by EPSRC, the University of Southampton, and its partners.
The NGCM brings together world-class simulation modelling research activities from across the University of Southampton and hosts a 4-year doctoral training programme that is the first of its kind in the UK.
Challenging Topological Prejudice - Automated Airframe Layout Design
Andras Sobester (Investigator), Paul Chambers
Aircraft preliminary design scopes are drastically narrowed by topological prejudice. Modern aircraft have settled on the same 'tube plus wing and cruciform tail' type topology that has been adopted through their ancestry, with no scientific evidence that this layout is optimal. This research project poses the question:
“Given a topologically flexible aircraft geometry that is free of prejudice or bias, would a sophisticated multi-disciplinary optimization process yield a conventional layout?”
Complexity in Modelling Electric Marine Propulsive Devices
Suleiman Sharkh, Neil Bressloff, Hans Fangohr (Investigators), Aleksander Dubas
This project involves the simulation of turbulent flow around a marine rim-driven thruster and the complex interaction of flow features involved through computational fluid dynamics. Following this, the optimisation of design parameters using computational fluid dynamics to calculate the objective function is performed and surrogate modelling utilised to estimate optimum design configuration.
Computational electromagnetic modelling of 3D photonic structures
Marc Molinari, Darren Bagnall, Simon Cox (Investigators), Asa Asadollahbaik, Elizabeth Hart
Nano-structured materials can provide very specific and often very special optical effects which can be exploited for a large range of optical applications including wavelength filters, LEDs, micro-lasers, HDTV, solar-cell coatings, optical high-Q fibres, diffraction gratings, polarisation devices, optical switches, etc. This research in “Computational Electromagnetic Modelling of 3D Photonic Structures” aims to address the need for accurate and fast three-dimensional modelling, simulation and analysis processes in the photonics industry. A FEM/FDTD software suite will be developed to simulate Maxwell’s field equations and thin-film quantum effects (plasmons) in the visible and near-infrared EM frequency spectrum. The results obtained from running the software on suitable compute clusters will then be compared to the analysis results of experimentally manufactured materials. We will investigate structures occurring in nature such as iridescent butterfly wings, white/black reflecting beetle shells, etc., and aim to optimise artificially designed structures with periodic, quasi-periodic and random configurations.
Computational Fluid Dynamics of Compressor Blades Within a Gas Turbine Engine (HiPSTAR)
Richard Sandberg (Investigator), John Leggett
As modern engines become more and more efficient, the importance of understanding the finer details of the physics involved grows, if further gains are to be achieved. In such harsh enviroments, such as within a gas turbine engine, there are few means of studying them physicaly and we are left with little choice but to use super computers to model the flow.
Deep Optimisation
Jamie Caldwell
The project will develop the implementation and application of a new optimisation technique. 'Deep optimisation' combines deep learning techniques in neural networks with distributed optimisation methods to create a dynamically re-scalable optimisation process. This project will develop this technique to better-understand its capabilities and limitations and develop GPU implementations. The protein structure prediction problem will be used as the main test application.
Dipole moment and theoretical spectroscopy: a computational approach
Chris-Kriton Skylaris (Investigator), Valerio Vitale
The present project represents a first step towards the implementation of a new technique to calculate the whole vibrational spectra of molecules in a formally exact way, which fully takes into account anharmonicity and conformational transitions, at a finite temperature, both in gas phase and in solution in a single ab initio molecular dynamics simulation.
Direct Numerical Simulations of transsonic turbine tip gap flow
Richard Sandberg (Investigator)
Direct Numerical Simulations are conducted of the transsonic flow through the tip gap at real engine conditions.
Dynamics of interacting magnetic nanoparticles
Thomas Fischbacher (Investigator), Maximilian Albert
The project aims at extending the micromagnetic simulation framework 'nmag' developed at the University of Southampton to enable it to handle dynamic geometries. The extended framework will then be used to study systems such as interacting magnetic nanoparticles.
Eddy-resol?ving Simulation?s for Turbomachi?nery Applicatio?ns
Richard Sandberg (Investigator), Li-Wei Chen
Traditionally, the design of turbomachinery components has been exclusively accomplished with steady CFD, with Reynolds Averaged Navier-Stokes (RANS) models being the predominant choice. With computing power continuously increasing, high-fidelity numerical simulations of turbomachinery components are now becoming a valuable research tool for validating the design process and continued development of design tool.
In the current project, Direct Numerical Simulations (DNS) and other eddy-resolving approaches will be performed of turbomachinery components to establish benchmark data for design tools, and to investigate physical mechanisms that cannot be captured by traditional CFD approaches.
Effects of trailing edge elasticity on trailing edge noise
Richard Sandberg (Investigator), Stefan C. Schlanderer
This work considers the effect of trailing edge elasticity on the acoustic and hydrodynamic field of a trailing edge flow. To that end direct numerical simulations that are fully coupled to a structural solver are conducted.
Fidelity optimisation in an atomic quantum computer
Timothy Freegarde (Investigator), Jack Saywell
Development of optimised composite pulses for atomic quantum computers with the aim of reducing systematic errors in information processing caused by variations in laser intensity and environment.
Fluid Dynamics Optimisation of Rim-Drive Thrusters and Ducted Hydrokinetic Generators
Aleksander Dubas, Suleiman Sharkh (Investigators)
This is a Knowledge Transfer Partnership project is a collaboration between the University of Southampton and TSL Technology Ltd. to develop computational fluid dynamics software design tools for modelling and optimising the design of propeller thrusters and water turbine generators.
Fluid Structure Interactions of Yacht Sails
Stephen Turnock (Investigator), Daniele Trimarchi
The research is the main subject of the PhD topic. It regards the application of fluid structure interaction techniques to the domain of yacht sails simulation
Gravitational waves from neutron stars
Ian Hawke (Investigator)
Gravitational waves, once detected, will give information about the extremes of space and time. Compact objects such as neutron stars are perfect locations for generating such waves.
Hadronic structure on the computer
Jonathan Flynn (Investigator), Dirk Broemmel, Thomas Rae, Ben Samways
In experiments at the Large Hadron Collider (LHC) at CERN, Geneva, the interactions that occur between the colliding particles (protons in this case) can be factorised into a simple scattering between two constituent particles, called quarks, followed by a hadronisation process, which describes the dynamics of forming the bound proton states. Quarks are particles within the proton that bind to form composite particles (hadrons) such as a proton. The scattering process can be computed relatively easily, but hadronisation is intrinsically non-perturbative and hard to calculate. Lattice QCD (computer simulation of QCD on a discrete space-time lattice) provides our only known first-principles and systematically-improvable method to address problems like hadronisation. This project uses Iridis to extract parton distribution amplitudes which are experimentally inaccessible, but needed to describe the quark structure of hadrons.
Hybrid RANS/LES methods
Richard Sandberg (Investigator), Markus Weinmann
Novel hybrid RANS/LES methods are developed for more accurate and efficient simulation of flow over complex geometries.
Is fine-scale turbulence universal?
Richard Sandberg (Investigator), Patrick Bechlars
Complementary numerical simulations and experiments of various canonical flows will try to answer the question whether fine-scale turbulence is universal.
Jet noise
Richard Sandberg (Investigator), Neil Sandham
Direct numerical simulations are used to investigate jet noise.
Kaon to two pion decays in lattice QCD
Jonathan Flynn (Investigator), Elaine Goode, Dirk Broemmel
We calculate kaon decay amplitudes on the lattice so we may compare the Standard Model to experiment.
Massively-Parallel Computational Fluid Dynamics
Simon Cox, Stephen Turnock, Alexander Phillips (Investigators), James Hawkes
Computational Fluid Dynamics (CFD) is a numerical method for modelling fluid flows and heat transfer - and is used in many industries. It can be used to model dynamics around aircraft, ships and land vehicles; and also has uses in engine design, architecture, weather forecasting, medicine, computer-generated imagery (CGI) and much more. To harness the full power of CFD, it is necessary to utilise the full power of modern supercomputers. This project aims to improve the scalabilty of existing CFD codes so that more complex problems can be tackled efficiently.
Mathematical tools for analysis of genome function, linkage disequilibrium structure and disease gene prediction
Mahesan Niranjan, Andrew Collins, Reuben Pengelly (Investigators)
This iPhD project uses a Gaussian Bayesian Networks framework through Machine learning methods to predict which genes are involved in the development of different diseases.
Mathematical tools for analysis of genome function, linkage disequilibrium structure and disease gene prediction
Andrew Collins, Mahesan Niranjan, Reuben Pengelly (Investigators), Alejandra Vergara Lope
This iPhD project uses a Gaussian Bayesian Networks approaches framework through machine learning approach to predict which genes are involved in the development of different diseases.
Modelling micromagnetism at elevated temperature
Hans Fangohr, Kees de Groot, Peter de_Groot (Investigators), Dmitri Chernyshenko
We aim to develop a multiscale multiphysics model of
micromagnetism at elevated temperatures with atomistic simulations for
material parameter. The tool will be used to guide the development of the next generation magnetic data storage technology: heat assisted magnetic recording.
Modelling the Combined Effects of Total Ionizing Dose and Random Dopant Fluctuations in sub-100 nm gate-length Transistors
Kees de Groot (Investigator), Eleni Chatzikyriakou
The radiation hardness of state-of-the-art silicon-on-insulator transistors of gate length dimensions of 90 nm and beyond is investigated. The combined effects of oxide charges and random fluctuations of the dopant atoms in silicon are considered. It is demonstrated that a parasitic channel forms at the interface of buried oxide and shallow trench isolation regions of the device and that this effect is aggravated by random dopant fluctuations.
Multiscale modelling of biological membranes
Jonathan Essex (Investigator), Mario Orsi
Biological membranes are complex and fascinating systems, characterised by proteins floating in a sea of lipids. Biomembranes, besides being the fundamental structures employed by nature to encapsulate cells, play crucial roles in many phenomena indispensable for life, such as growth, energy storage, and in general information transduction via neural activity. In this project, we develop and apply multiscale computational models to simulate biological membranes and obtain molecular-level insights into fundamental structures and phenomena.
Multiscale modelling of neutron star oceans
Ian Hawke (Investigator), Alice Harpole
Type I X-ray bursts are explosions which occur on the surface of some
neutron stars. It is believed that the burning begins in a localised spot in the ocean of the
star before spreading across the entire surface. By gaining a better understanding of X-ray
bursts, it is hoped that tighter limits can be determined for other neutron star properties
such as the radius and magnetic field strength.
Nmag - computational micromagnetics
Hans Fangohr, Thomas Fischbacher (Investigators), Matteo Franchin, Andreas Knittel, Maximilian Albert, Dmitri Chernyshenko, Massoud Najafi, Richard Boardman
Nmag is a micromagnetic simulation package based on the general purpose multi-physics library nsim. It is developed by the group of Hans Fangohr and Thomas Fischbacher in the School of Engineering Sciences at the University of Southampton and released under the GNU GPL.
Non-Perturbative Renormalisation on the Lattice
Jonathan Flynn (Investigator), Dirk Broemmel, Thomas Rae
In this project we compute renormalisation factors for various physical observables in a non-perturbative lattice framework. Renormalisation hereby arises due to a fundamental scale dependence of the physical processes.
Numerical Elastic Neutron Stars
Ian Hawke, Ian Jones (Investigators), Andrew Penner
We study the astrophysical effects of the crust on a neutron star using an elasto-hydrodynamic model.
Numerical investigation of the true sources of jet noise
Anurag Agarwal (Investigator), Samuel Sinayoko
Aircraft noise severely impacts the quality of life of people living close to airports. Noise generation by aircrafts is especially large during take-off. Jet noise is the dominant noise source during take-off. It is produced by the high speed flow generated by the engine. However, the actual source of sound remains unknown. A deeper understanding of the sources of jet noise is need to be able to reduce the noise. The aim of this project is to implement a innovative method that would allow to identify the sources of jet noise.
Porous Media and Hydrothermal Circulation in Weakened Ocean Crust
Formation of oceanic crust is an interplay between magma and the cooling hydrothermal system above that its own heat drives. To understand this system we must understand where and how water circulates through the crust.
Ocean crust is riddled with faults and other permeable pathways along which water preferentially flows. We seek to use basic numerical models of circulation in porous media to understand how much of an influence on crust formation these anomalous features have, compared to the bulk, unfractured crust.
Pushing the Envelope of Planetary Formation and Evolution Simulations
Peter Bartram
A full understanding of the formation and the early evolution of the Solar System and extrasolar planetary systems ranks among natural science's grand challenges, and at present, even the dominant processes responsible for generating the observed planetary architecture remain elusive.
Real-time CFD for helicopter flight simulation
Kenji Takeda (Investigator), James Kenny
Project aims to show how real-time computational fluid dynamics (CFD) could be used to improve the realism of helicopter flight simulators.
Self-Force and Black Hole Inspirals
Sam Dolan (Investigator)
We use IRIDIS to compute the self-force acting on a solar-mass black hole orbiting a supermassive black hole.
Skyrmionic states in confined nanostructures
Hans Fangohr (Investigator), Marijan Beg
An ever increasing need for data storage creates great challenges for the development of high-capacity storage devices that are cheap, fast, reliable, and robust. Because of the fundamental constraints of today's technologies, further progress requires radically different approaches. Magnetic skyrmions are very promising candidates for the development of future low-power, high-capacity, non-volatile data storage devices.
Stochastic computational methods for aero-acoustics
Gwenael Gabard (Investigator), Martina Dieste
Stochastic methods are used to synthesize a turbulent flow which is then used to model the sound radiated by an airfoil interacting with this turbulence. This approach is faster than performing a complete simulation of the flow field.
Stratified combustion physics and modelling
Edward Richardson (Investigator)
Full-resolution simulation data for turbulent combustion are used to investigate the fundamental impact, and practical modelling, of fuel-air stratification.
Supersonic axisymmetric wakes
Richard Sandberg (Investigator)
Direct numerical simulations are used to shed more light on structure formation and evolution in supersonic wakes.
The Maximum Entropy Production Principle and Natural Convection
Seth Bullock, James Dyke (Investigators), Stuart Bartlett
In this project I wanted to perform some tests of the so-called Maximum Entropy Production Principle (MEPP) in the context of buoyancy-driven convection in a system with negative feedback boundary conditions.
The ONETEP project
Chris-Kriton Skylaris (Investigator), Stephen Fox, Chris Pittock, Álvaro Ruiz-Serrano, Jacek Dziedzic
Program for large-scale quantum mechanical simulations of matter from first principles quantum mechanics. Based on theory and algorithms we have developed for linear-scaling density functional theory calculations on parallel computers.
Towards biologically-inspired active-compliant-wing micro-air-vehicles
Richard Sandberg (Investigator), Sonia Serrano-Galiano
Despite a good knowledge of the physiology of bats and birds, engineering applications with active dynamic wing compliance capability are currently few and far between. Recent advances in development of electroactive materials together with high-fidelity numerical/experimental methods provide a foundation to develop biologically-inspired dynamically-active wings that can achieve "on-demand" aerodynamic performance. However this requires first to develop a thorough understanding of the dynamic coupling between the electro-mechanical structure of the membrane wing and its unsteady aerodynamics. In this collaborative initiative between the University of Southampton and Imperial College London, we are developing an integrated research programme that carries out high-fidelity experiments and computations to achieve a fundamental understanding of the dynamics of aero-electro-mechanical coupling in dynamically-actuated compliant wings. The goal is to utilise our understanding and devise control strategies that use integral actuation schemes to improve aerodynamic performance of membrane wings. The long-term goal of this project is to enable the use of soft robotics technology to build integrally-actuated wings for Micro Air Vehicles (MAV) that mimic the dynamic shape control capabilities of natural flyers.
Understanding Stochastic Processes in Interacting Spin Models
Oliver Laslett
Applying efficient computational models to compute Langevin dynamics and master equation equilibrium solutions for interacting magnetic spin systems.
Vibrational spectroscopy from ab initio molecular dynamics
Hans Fangohr, Chris-Kriton Skylaris (Investigators), Valerio Vitale
In this project I used the Fourier transform of the time correlation function (FTTCF) formalism, that allows to compute the vibrational spectra of molecules both in gas and condensed phase, at finite temperature, in a single ab initio molecular dynamics simulation.
Water molecules in drug development: can we predict drug affinity when water molecules are involved?
Jonathan Essex (Investigator), Hannah Bruce Macdonald, Christopher Cave-Ayland
Water molecules are often found to be involved in drug-protein binding and can influence the effectiveness of a drug. We aim to aid drug design by calculating the energies involved with complexes of drugs, proteins and water molecules to predict the affinities of drug molecules.
Wave-based discontinuous Galerkin methods
Gwenael Gabard (Investigator), Greg Kennedy
Wave-based computational methods are developed to model sound propagation in moving inhomogeneous media.
Whisky Code
Ian Hawke (Investigator)
A 3D finite volume code for simulating compact relativistic hydrodynamics.
People
Professor, Electronics and Computer Science (FPAS)
Professor, Engineering Sciences (FEE)
Professor, Electronics and Computer Science (FPAS)
Professor, Engineering Sciences (FEE)
Professor, Chemistry (FNES)
Professor, Electronics and Computer Science (FPAS)
Professor, Chemistry (FNES)
Professor, Engineering Sciences (FEE)
Professor, Physics & Astronomy (FPAS)
Professor, Electronics and Computer Science (FPAS)
Professor, Engineering Sciences (FEE)
Professor, Engineering Sciences (FEE)
Professor, Engineering Sciences (FEE)
Professor, Engineering Sciences (FEE)
Reader, Optoelectronics Research Centre
Senior Lecturer, Physics & Astronomy (FPAS)
Senior Lecturer, Engineering Sciences (FEE)
Senior Lecturer, Medicine (FM)
Senior Lecturer, Engineering Sciences (FEE)
Lecturer, Electronics and Computer Science (FPAS)
Lecturer, Institute of Sound & Vibration Research (FEE)
Lecturer, Mathematics (FSHS)
Lecturer, Mathematics (FSHS)
Lecturer, Engineering Sciences (FEE)
Lecturer, Chemistry (FNES)
Lecturer, Engineering Sciences (FEE)
Lecturer, Engineering Sciences (FEE)
Senior Research Fellow, Engineering Sciences (FEE)
Senior Research Fellow, Institute of Sound & Vibration Research (FEE)
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Research Fellow, Chemistry (FNES)
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Postgraduate Research Student, Electronics and Computer Science (FPAS)
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Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Institute of Sound & Vibration Research (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Physics & Astronomy (FPAS)
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Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Institute of Sound & Vibration Research (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Institute of Sound & Vibration Research (FEE)
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Postgraduate Research Student, Mathematics (FSHS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Physics & Astronomy (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, University of Southampton
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Physics & Astronomy (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
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Technical Staff, iSolutions
Technical Staff, iSolutions
Administrative Staff, Research and Innovation Services
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Enterprise staff, Engineering Sciences (FEE)
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Alumnus, Osney Thermo-Fluids Laboratory, Oxford University
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Alumnus, Engineering Sciences (FEE)
Alumnus, University of Southampton
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Alumnus, Industry
Alumnus, Psychology (FSHS)
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Alumnus, Arbeitsbereich Technische Informatik Systeme, University of Hamburg, Germany
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Alumnus, BMLL
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External Member, Imperial College London
External Member, Queen Mary University of London
None, None
None, None
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