Computational Modelling Group

Visualisation

Visualisation -- of data gathered from experiment as well as simulation -- is key to extract insight and understanding.

The figure shows simulation data of space plasma flow. The scalar entity plotted here on a 2d domain is visualised through (i) the chosen colour and (ii) a displacement of the 2d-plane in the third dimension, where the displacement is proportional to the value of the scalar. Here, the scalar is the density of the plasma and the system studied is related to jets from active galaxy nuclei studies.

For queries about this topic, contact Hans Fangohr.

View the calendar of events relating to this topic.

Projects

A novel method for monitoring air pollution from satellites at very high resolution

Joanna Nield, Jason Noble, Edward Milton (Investigators), Robin Wilson

Developing methods to monitor the clarity of the atmosphere from satellites at 100,000 times the resolution of previous methods. This can then be used to monitor air pollution, correct satellite images and provide data for climate studies. Simulation is used to model the effects of atmospheric pollution on light passing through the atmosphere, and to test the method under 'synthetic atmospheres'.

Bioclimatic Architecture

Seth Bullock (Investigator), Nicholas Hill

This was a review report on bioclimatic architecture and how such architecture may be designed by agent-based models inspired by the building behaviour of insects.

Centre for Doctoral Training in Next Generation Computational Modelling

Hans Fangohr, Ian Hawke, Peter Horak (Investigators), Susanne Ufermann Fangohr, Ryan Pepper, Hossam Ragheb, Emanuele Zappia, Ashley Setter, David Lusher, Alvaro Perez-Diaz, Kieran Selvon, Thorsten Wittemeier, Mihails Milehins, Stephen Gow, Ioannis Begleris, Jonathon Waters, James Harrison, Joshua Greenhalgh, Rory Brown, Robert Entwistle, Paul Chambers, Jan Kamenik, 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.

Directing magnetic skyrmion traffic flow with nanoscale patterning.

Hans Fangohr, Ondrej Hovorka (Investigators), Mark Vousden

Skyrmions in magnetic nanostructures may lead to new data storage technologies. Appropriate simulation methodologies are developed and applied.

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.

Multiscale Modelling of Cellular Calcium Signalling

Hans Fangohr, Jonathan Essex (Investigators), Dan Mason

Calcium ions play a vitally important role in signal transduction and are key to many cellular processes including muscle contraction and cell apoptosis (cell death). This importance has made calcium an active area in biomedical science and mathematical modelling.

On the applicability of nonlinear timeseries methods for partial discharge analysis

Paul Lewin (Investigator), Lyuboslav Petrov

The governing processes of Partial Discharge (PD)
phenomena trigger aperiodic chains of events resulting in ’ap-
parently’ stochastic data, for which the widely adopted analysis
methodology is of statistical nature. However, it can be shown,
that nonlinear analysis methods can prove more adequate in
detecting certain trends and patterns in complex PD timeseries.
In this work, the application of nonlinear invariants and phase
space methods for PD analysis are discussed and potential pitfalls
are identified. Unsupervised statistical inference techniques based
on the use of surrogate data sets are proposed and employed for
the purpose of testing the applicability of nonlinear algorithms
and methods. The Generalized Hurst Exponent and Lempel Ziv
Complexity are used for finding the location of the system under
test on the spectrum between determinism and stochasticity. The
algorithms are found to have strong classification abilities at
discerning between surrogates and original point series, giving
motivation for further investigations.

OpenDreamKit

Hans Fangohr (Investigator), Marijan Beg

OpenDreamKit is a [Horizon 2020](https://ec.europa.eu/programmes/horizon2020/) European Research Infrastructure project (#676541) that will run for four years, starting from September 2015. It will provide substantial funding to the open source computational mathematics ecosystem, and in particular popular tools such as LinBox, MPIR, SageMath, GAP, Pari/GP, LMFDB, Singular, MathHub, and the IPython/Jupyter interactive computing environment.

Quantifying Collective Construction

Seth Bullock (Investigator), Nicholas Hill

This was an initial investigation into how best to develop quantifying and discriminating measures of both the processes and results of collective construction.

SAVE: Solent Achieving Value through Efficiency

Patrick James, Ben Anderson (Investigators), Luke Blunden

Analysis of 15 minute electricity consumption and 10 second instantaneous power data from 4,000+ households in the Solent region collected over 3 years of a randomised control trial study.

Skyrmionic states in confined helimagnetic 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.

Space Debris and Evolution of of Resilient Space Systems

Hugh Lewis (Investigator), Marian Daogaru

The aim of the project will be to characterise and quantify the possible evolution of space systems in response to future environmental change; in particular, with respect to changes in the space debris environment.

Space debris has been recognised by the international space-faring community as a significant threat to spacecraft operations in Earth orbit. Impacts on spacecraft can result in damage to critical systems, the loss of the mission, and the generation of fragment clouds which may go on to endanger other spacecraft. With the population of objects in near-Earth orbit ever-increasing, future space systems will need to develop greater resilience to the growing space debris threat. Resilience to this threat can be achieved in several ways, through adaptation, redundancy, protection, distribution and restoration, for example.

These resilience measures can be included within space systems design, which is a multi-objective optimisation process, such that the resulting spacecraft or architectural design is well-suited for operation in the space environment, whilst at the same time respecting mass, power, and cost constraints, amongst others. However, rapidly changing priorities in the space sector and changes in the debris population mean that optimal designs will need to evolve through time such that successive generations of spacecraft continue to be, or are better adapted to survive in the space environment. At the same time, better adapted spacecraft represent a possibly beneficial feedback into the space debris environment, meaning that future generations of spacecraft will also be indirectly affected by the designs of previous generations (and vice versa). Consequently, the multi-objective optimisation needs to be integrated with an appropriate space debris model.

The development of this integrated assessment and optimisation approach, and its application to identify future trends in space systems design, will form the basis of the project. Firstly, an appropriate methodology for identifying and representing the key design objectives, including concepts such as resilience, will be developed. Secondly, this methodology will be incorporated within a novel integrated assessment framework that will perform the multi-objective design optimisation through time.

Given the potential complexity of this task, arising from the large parameter space and the uncertainties in the future debris environment predictions, there will be a need for new and state-of-the-art computational modelling and optimisation approaches that enable solutions to be found in a reasonable time-frame. Such approaches could include evolutionary algorithms and particle swarm optimisation techniques. In addition, the project will also benefit from developments in space debris modelling coming from a parallel project.

Spatial variability of the atmosphere in southern England

Joanna Nield, Jason Noble, Edward Milton (Investigators), Robin Wilson

No-one really knows how variable key atmospheric parameters such as Aerosol Optical Thickness and Water Vapour content are over relatively small areas. This study aims to find out!

THE NORM MATE TRANSPORTER FROM N. GONORRHEAE: INSIGHTS INTO DRUG & ION BINDING FROM ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS

Syma Khalid (Investigator), Daniel Holdbrook, Thomas Piggot, Yuk Leung

The multidrug and toxic compound extrusion (MATE) transporters extrude a wide variety of substrates out of both mammalian and bacterial cells via the electrochemical gradient of protons and cations across the membrane. Multiple atomistic simulation are performed on a MATE transporter, NorM from Neisseria gonorrheae (NorM_NG) and NorM from Vibrio cholera (NorM_VC). These simulations have allowed us to identify the nature of the drug-protein/ion-protein interactions, and secondly determine how these interactions contribute to the conformational rearrangements of the protein.

People

Seth Bullock
Professor, Electronics and Computer Science (FPAS)
Jonathan Essex
Professor, Chemistry (FNES)
Hans Fangohr
Professor, Engineering Sciences (FEE)
Paul Lewin
Professor, Electronics and Computer Science (FPAS)
Edward Milton
Professor, Geography (FSHS)
Suleiman Sharkh
Professor, Engineering Sciences (FEE)
Nicolas Green
Reader, Electronics and Computer Science (FPAS)
Peter Horak
Reader, Optoelectronics Research Centre
Robert Ewing
Senior Lecturer, Biological Sciences (FNES)
Patrick James
Senior Lecturer, Civil Engineering & the Environment (FEE)
Joanna Nield
Senior Lecturer, Geography (FSHS)
Ian Hawke
Lecturer, Mathematics (FSHS)
Ondrej Hovorka
Lecturer, Engineering Sciences (FEE)
Hugh Lewis
Lecturer, Engineering Sciences (FEE)
Syma Khalid
Principal Research Fellow, Chemistry (FNES)
Ben Anderson
Senior Research Fellow, Civil Engineering & the Environment (FEE)
Marijan Beg
Research Fellow, Engineering Sciences (FEE)
Luke Blunden
Research Fellow, Civil Engineering & the Environment (FEE)
Petros Bogiatzis
Research Fellow, Ocean & Earth Science (FNES)
Nicola De Tullio
Research Fellow, Engineering Sciences (FEE)
Aleksander Dubas
Research Fellow, Engineering Sciences (FEE)
Thomas Kluyver
Research Fellow, Engineering Sciences (FEE)
Jason Noble
Research Fellow, Electronics and Computer Science (FPAS)
Robin Wilson
Research Fellow, Geography (FSHS)
Patrick Bechlars
Postgraduate Research Student, Engineering Sciences (FEE)
Ioannis Begleris
Postgraduate Research Student, Engineering Sciences (FEE)
Rory Brown
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Jamie Caldwell
Postgraduate Research Student, Engineering Sciences (FEE)
Paul Chambers
Postgraduate Research Student, Engineering Sciences (FEE)
Marian Daogaru
Postgraduate Research Student, Engineering Sciences (FEE)
Robert Entwistle
Postgraduate Research Student, Engineering Sciences (FEE)
Stephen Gow
Postgraduate Research Student, Engineering Sciences (FEE)
Joshua Greenhalgh
Postgraduate Research Student, Engineering Sciences (FEE)
James Harrison
Postgraduate Research Student, Engineering Sciences (FEE)
Nicholas Hill
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Adam Jackson
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Jan Kamenik
Postgraduate Research Student, Engineering Sciences (FEE)
Yuk Leung
Postgraduate Research Student, Chemistry (FNES)
David Lusher
Postgraduate Research Student, Engineering Sciences (FEE)
Sam Mangham
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Alvaro Perez-Diaz
Postgraduate Research Student, Engineering Sciences (FEE)
Lyuboslav Petrov
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Richard Pichler
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Craig Rafter
Postgraduate Research Student, Engineering Sciences (FEE)
Hossam Ragheb
Postgraduate Research Student, Engineering Sciences (FEE)
Kieran Selvon
Postgraduate Research Student, Engineering Sciences (FEE)
Ashley Setter
Postgraduate Research Student, Engineering Sciences (FEE)
Mark Vousden
Postgraduate Research Student, Engineering Sciences (FEE)
Jonathon Waters
Postgraduate Research Student, Engineering Sciences (FEE)
Thorsten Wittemeier
Postgraduate Research Student, Engineering Sciences (FEE)
Emanuele Zappia
Postgraduate Research Student, Engineering Sciences (FEE)
Jess Jones
Technical Staff, iSolutions
Susanne Ufermann Fangohr
Administrative Staff, Civil Engineering & the Environment (FEE)
Arthur Lugtigheid
Alumnus, Psychology (FSHS)
Dan Mason
Alumnus, University of Southampton
Mihails Milehins
Alumnus, University of Southampton
Nicolas Palopoli
Alumnus, Biological Sciences (FNES)
Mohamed Bakoush
None, None
Brian Bonney
None, None
Daniel Holdbrook
None, None
Thomas Piggot
None, None